============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 5 0.840 48.044 48.018 25.588 -99.200 -91.000 HIS 21 0.900 39.896 28.755 8.695 -99.200 -91.000 TYR 31 0.840 45.060 22.208 21.390 -99.200 -91.000 PHE 37 1.000 32.514 39.443 24.204 -99.200 -91.000 TYR 50 0.840 68.918 42.706 30.561 -99.200 -91.000 HIS 69 0.900 48.287 45.723 14.826 -99.200 -91.000 PHE 71 1.000 49.536 37.208 20.329 -99.200 -91.000 PHE 76 1.000 45.179 35.098 22.231 -99.200 -91.000 PHE 79 1.000 46.105 39.888 32.011 -99.200 -91.000 TYR 81 0.840 52.914 42.363 33.917 -99.200 -91.000 PHE 89 1.000 58.734 35.233 34.281 -99.200 -91.000 PHE 90 1.000 59.990 31.883 38.242 -99.200 -91.000 TYR 101 0.840 41.003 39.280 33.460 -99.200 -91.000 PHE 108 1.000 49.647 31.720 29.422 -99.200 -91.000 HIS 115 0.900 70.225 40.542 26.658 -99.200 -91.000 PHE 127 1.000 63.678 36.573 35.194 -99.200 -91.000 HIS 141 0.900 53.484 28.987 36.881 -99.200 -91.000 PHE 142 1.000 53.265 28.169 31.614 -99.200 -91.000 TYR 149 0.840 41.884 28.526 37.222 -99.200 -91.000 PHE 159 1.000 60.572 30.523 27.109 -99.200 -91.000 PHE 161 1.000 65.102 38.803 21.656 -99.200 -91.000 TYR 176 0.840 63.217 26.501 22.438 -99.200 -91.000 TYR 182 0.840 75.914 38.384 19.906 -99.200 -91.000 HIS 185 0.900 66.835 45.820 9.472 -99.200 -91.000 TRP 193 1.040 64.793 39.189 10.430 -99.200 -91.000 TRP6 193 1.020 64.134 41.315 9.628 -99.200 -91.000 TYR 194 0.840 60.716 33.209 16.442 -99.200 -91.000 PHE 198 1.000 54.298 34.375 16.065 -99.200 -91.000 HIS 205 0.900 50.576 33.426 5.377 -99.200 -91.000 HIS 207 0.900 43.673 34.306 6.109 -99.200 -91.000 TYR 237 0.840 57.263 23.857 16.071 -99.200 -91.000 PHE 242 1.000 49.840 23.123 20.076 -99.200 -91.000 TYR 247 0.840 43.282 25.648 11.358 -99.200 -91.000 PHE 248 1.000 46.755 31.665 17.274 -99.200 -91.000 PHE 252 1.000 32.992 33.344 11.628 -99.200 -91.000 PHE 253 1.000 31.176 36.600 17.159 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fp3A1 ALA 157 HA 0.05 -0.02 0.11 -0.75 4.34 3.72 2fp3A1 ALA 157 HB3 0.05 -0.02 0.00 -0.04 1.41 1.40 2fp3A1 LEU 158 H 0.08 0.21 0.05 -0.55 8.37 8.16 2fp3A1 LEU 158 HA 0.11 0.00 0.49 -0.75 4.35 4.20 2fp3A1 LEU 158 HB2 0.11 -0.00 0.16 -0.04 1.64 1.87 2fp3A1 LEU 158 HB3 0.08 0.00 -0.05 -0.04 1.64 1.63 2fp3A1 LEU 158 HG -0.06 -0.01 -0.05 -0.04 1.64 1.48 2fp3A1 LEU 158 HD13 -0.33 -0.00 -0.09 -0.04 0.93 0.46 2fp3A1 LEU 158 HD23 -0.30 0.00 -0.08 -0.04 0.89 0.47 2fp3A1 THR 159 H 0.17 0.16 0.17 -0.55 8.28 8.23 2fp3A1 THR 159 HA 0.10 0.22 0.95 -0.75 4.39 4.91 2fp3A1 THR 159 HB 0.02 -0.04 0.17 -0.04 4.32 4.44 2fp3A1 THR 159 HG23 -0.02 -0.01 -0.12 -0.04 1.22 1.04 2fp3A1 PRO 160 HA -0.56 0.15 0.49 -0.51 4.44 4.01 2fp3A1 PRO 160 HB2 -0.11 0.00 0.06 -0.04 2.28 2.19 2fp3A1 PRO 160 HB3 -0.36 -0.00 0.10 -0.04 2.02 1.71 2fp3A1 PRO 160 HG2 -0.09 0.01 0.05 -0.04 2.03 1.96 2fp3A1 PRO 160 HG3 -0.51 -0.01 -0.03 -0.04 2.03 1.44 2fp3A1 PRO 160 HD2 0.06 0.06 0.20 -0.04 3.68 3.96 2fp3A1 PRO 160 HD3 0.19 0.30 -0.06 -0.04 3.65 4.03 2fp3A1 TYR 161 H -0.12 0.61 0.44 -0.55 8.29 8.67 2fp3A1 TYR 161 HA -0.09 0.01 0.51 -0.75 4.56 4.25 2fp3A1 TYR 161 HB2 -0.11 0.03 0.16 -0.04 3.06 3.09 2fp3A1 TYR 161 HB3 -0.11 -0.07 0.15 -0.04 2.98 2.92 2fp3A1 TYR 161 HD2 -0.05 0.01 -0.15 -0.04 7.15 6.92 2fp3A1 TYR 161 HE2 -0.01 0.01 -0.17 -0.04 6.85 6.63 2fp3A1 VAL 162 H -0.62 0.20 0.24 -0.55 8.24 7.51 2fp3A1 VAL 162 HA -0.11 0.18 0.85 -0.75 4.13 4.30 2fp3A1 VAL 162 HB -0.10 -0.06 0.05 -0.04 2.12 1.97 2fp3A1 VAL 162 HG13 -0.07 0.08 -0.20 -0.04 0.97 0.74 2fp3A1 VAL 162 HG23 -0.16 -0.01 0.01 -0.04 0.95 0.75 2fp3A1 GLY 163 H -0.05 0.18 0.09 -0.55 8.43 8.10 2fp3A1 GLY 163 HA2 -0.06 -0.05 0.34 -0.51 4.01 3.73 2fp3A1 GLY 163 HA3 -0.14 0.21 0.79 -0.51 4.01 4.35 2fp3A1 VAL 164 H 0.01 0.09 0.14 -0.55 8.24 7.93 2fp3A1 VAL 164 HA 0.06 0.13 0.57 -0.75 4.13 4.13 2fp3A1 VAL 164 HB 0.02 -0.03 0.10 -0.04 2.12 2.17 2fp3A1 VAL 164 HG13 0.03 0.00 -0.14 -0.04 0.97 0.83 2fp3A1 VAL 164 HG23 0.02 0.00 0.03 -0.04 0.95 0.96 2fp3A1 VAL 165 H 0.10 0.29 0.13 -0.55 8.24 8.20 2fp3A1 VAL 165 HA 0.06 0.09 0.82 -0.75 4.13 4.34 2fp3A1 VAL 165 HB 0.14 0.02 0.04 -0.04 2.12 2.28 2fp3A1 VAL 165 HG13 0.04 0.03 -0.10 -0.04 0.97 0.90 2fp3A1 VAL 165 HG23 0.16 0.02 -0.34 -0.04 0.95 0.75 2fp3A1 ASP 166 H -0.02 0.09 0.09 -0.55 8.40 8.01 2fp3A1 ASP 166 HA -0.07 0.14 0.62 -0.75 4.63 4.57 2fp3A1 ASP 166 HB2 -0.08 0.03 0.05 -0.04 2.71 2.67 2fp3A1 ASP 166 HB3 -0.03 -0.02 0.05 -0.04 2.70 2.66 2fp3A1 GLY 167 H -0.32 0.36 0.23 -0.55 8.43 8.14 2fp3A1 GLY 167 HA2 -0.37 -0.01 0.34 -0.51 4.01 3.46 2fp3A1 GLY 167 HA3 -1.35 0.09 0.32 -0.51 4.01 2.56 2fp3A1 PRO 168 HA -0.06 -0.02 0.35 -0.51 4.44 4.20 2fp3A1 PRO 168 HB2 -0.02 0.09 -0.10 -0.04 2.28 2.21 2fp3A1 PRO 168 HB3 -0.06 0.02 0.09 -0.04 2.02 2.02 2fp3A1 PRO 168 HG2 -0.07 0.04 0.02 -0.04 2.03 1.97 2fp3A1 PRO 168 HG3 -0.08 0.00 0.06 -0.04 2.03 1.97 2fp3A1 PRO 168 HD2 -0.06 0.15 0.10 -0.04 3.68 3.82 2fp3A1 PRO 168 HD3 -0.18 0.08 0.18 -0.04 3.65 3.69 2fp3A1 GLU 169 H -0.03 0.05 0.15 -0.55 8.60 8.22 2fp3A1 GLU 169 HA 0.02 0.13 0.61 -0.75 4.29 4.30 2fp3A1 GLU 169 HB2 -0.02 -0.02 0.09 -0.04 2.09 2.10 2fp3A1 GLU 169 HB3 -0.04 -0.05 0.14 -0.04 1.99 2.00 2fp3A1 GLU 169 HG2 -0.04 0.06 -0.51 -0.04 2.34 1.80 2fp3A1 GLU 169 HG3 -0.02 0.02 -0.06 -0.04 2.34 2.24 2fp3A1 VAL 170 H -0.02 0.18 0.12 -0.55 8.24 7.97 2fp3A1 VAL 170 HA -0.09 0.22 0.92 -0.75 4.13 4.43 2fp3A1 VAL 170 HB -0.11 -0.04 0.15 -0.04 2.12 2.08 2fp3A1 VAL 170 HG13 -0.14 0.06 -0.14 -0.04 0.97 0.70 2fp3A1 VAL 170 HG23 -0.20 0.01 -0.09 -0.04 0.95 0.62 2fp3A1 LYS 171 H -0.06 0.41 0.19 -0.55 8.42 8.40 2fp3A1 LYS 171 HA -0.09 -0.05 0.36 -0.75 4.32 3.79 2fp3A1 LYS 171 HB2 -0.16 -0.01 0.14 -0.04 1.87 1.80 2fp3A1 LYS 171 HB3 -0.09 -0.04 0.00 -0.04 1.79 1.62 2fp3A1 LYS 171 HG2 -0.40 0.19 -0.05 -0.04 1.46 1.16 2fp3A1 LYS 171 HG3 -0.24 -0.07 0.08 -0.04 1.46 1.19 2fp3A1 LYS 171 HD2 -1.82 -0.00 -0.04 -0.04 1.69 -0.21 2fp3A1 LYS 171 HD3 -0.58 -0.02 -0.02 -0.04 1.68 1.02 2fp3A1 LYS 171 HE2 -0.21 -0.05 0.02 -0.04 2.99 2.71 2fp3A1 LYS 171 HE3 -0.20 -0.04 0.02 -0.04 2.99 2.73 2fp3A1 LYS 172 H -0.06 0.05 0.18 -0.55 8.42 8.03 2fp3A1 LYS 172 HA 0.05 0.21 0.84 -0.75 4.32 4.67 2fp3A1 LYS 172 HB2 0.02 -0.10 0.06 -0.04 1.87 1.81 2fp3A1 LYS 172 HB3 0.07 0.20 0.12 -0.04 1.79 2.14 2fp3A1 LYS 172 HG2 0.02 0.08 -0.12 -0.04 1.46 1.40 2fp3A1 LYS 172 HG3 -0.00 -0.08 0.01 -0.04 1.46 1.34 2fp3A1 LYS 172 HD2 0.03 -0.03 0.05 -0.04 1.69 1.70 2fp3A1 LYS 172 HD3 0.05 0.04 0.08 -0.04 1.68 1.81 2fp3A1 LYS 172 HE2 0.01 -0.07 0.02 -0.04 2.99 2.91 2fp3A1 LYS 172 HE3 0.03 -0.05 0.03 -0.04 2.99 2.96 2fp3A1 SER 173 H 0.13 0.77 0.18 -0.55 8.46 8.99 2fp3A1 SER 173 HA 0.15 0.06 0.57 -0.75 4.49 4.51 2fp3A1 SER 173 HB2 0.15 0.11 -0.07 -0.04 3.95 4.10 2fp3A1 SER 173 HB3 0.11 -0.04 0.20 -0.04 3.93 4.16 2fp3A1 LYS 174 H -0.12 0.11 0.17 -0.55 8.42 8.02 2fp3A1 LYS 174 HA -0.28 0.24 0.80 -0.75 4.32 4.33 2fp3A1 LYS 174 HB2 -0.15 -0.04 0.05 -0.04 1.87 1.70 2fp3A1 LYS 174 HB3 -0.17 -0.04 0.17 -0.04 1.79 1.70 2fp3A1 LYS 174 HG2 -0.06 0.04 -0.04 -0.04 1.46 1.37 2fp3A1 LYS 174 HG3 -0.06 0.10 -0.25 -0.04 1.46 1.21 2fp3A1 LYS 174 HD2 -0.06 -0.02 -0.02 -0.04 1.69 1.56 2fp3A1 LYS 174 HD3 -0.06 -0.04 0.01 -0.04 1.68 1.54 2fp3A1 LYS 174 HE2 -0.04 -0.05 -0.01 -0.04 2.99 2.85 2fp3A1 LYS 174 HE3 -0.04 -0.00 -0.01 -0.04 2.99 2.90 2fp3A1 LYS 175 H -0.64 0.28 0.04 -0.55 8.42 7.55 2fp3A1 LYS 175 HA -1.15 0.12 0.42 -0.75 4.32 2.95 2fp3A1 LYS 175 HB2 -0.37 -0.02 0.04 -0.04 1.87 1.49 2fp3A1 LYS 175 HB3 -0.41 0.16 -0.18 -0.04 1.79 1.32 2fp3A1 LYS 175 HG2 -0.53 -0.16 -0.18 -0.04 1.46 0.55 2fp3A1 LYS 175 HG3 -0.93 0.00 -0.53 -0.04 1.46 -0.04 2fp3A1 LYS 175 HD2 -0.27 0.03 -0.13 -0.04 1.69 1.29 2fp3A1 LYS 175 HD3 -0.36 -0.01 -0.11 -0.04 1.68 1.17 2fp3A1 LYS 175 HE2 -0.49 -0.07 -0.14 -0.04 2.99 2.25 2fp3A1 LYS 175 HE3 -0.29 0.06 -0.09 -0.04 2.99 2.63 2fp3A1 ILE 176 H -0.15 0.17 0.06 -0.55 8.25 7.78 2fp3A1 ILE 176 HA 0.06 0.21 0.68 -0.75 4.18 4.38 2fp3A1 ILE 176 HB 0.01 -0.06 0.09 -0.04 1.89 1.89 2fp3A1 ILE 176 HG12 0.31 -0.04 -0.16 -0.04 1.49 1.56 2fp3A1 ILE 176 HG13 0.13 -0.07 -0.10 -0.04 1.21 1.14 2fp3A1 ILE 176 HG23 0.06 0.03 -0.19 -0.04 0.93 0.79 2fp3A1 ILE 176 HD13 0.26 0.03 -0.21 -0.04 0.88 0.92 2fp3A1 HIS 177 H 0.05 0.22 0.08 -0.55 8.41 8.21 2fp3A1 HIS 177 HA -0.30 0.05 0.56 -0.75 4.63 4.20 2fp3A1 HIS 177 HB2 -0.58 -0.01 0.07 -0.04 3.26 2.71 2fp3A1 HIS 177 HB3 -1.37 -0.11 -0.02 -0.04 3.20 1.65 2fp3A1 HIS 177 HD2 -0.06 0.04 0.06 -0.04 6.97 6.96 2fp3A1 HIS 177 HE1 -0.06 -0.04 0.03 -0.04 7.75 7.64 2fp3A1 GLY 178 H -0.22 0.14 0.09 -0.55 8.43 7.90 2fp3A1 GLY 178 HA2 -0.01 0.25 0.79 -0.51 4.01 4.54 2fp3A1 GLY 178 HA3 -0.05 0.07 0.32 -0.51 4.01 3.85 2fp3A1 GLY 179 H -0.30 0.16 -0.07 -0.55 8.43 7.67 2fp3A1 GLY 179 HA2 0.16 0.08 0.39 -0.51 4.01 4.13 2fp3A1 GLY 179 HA3 0.15 0.07 0.32 -0.51 4.01 4.04 2fp3A1 ASP 180 H -0.01 0.75 -0.34 -0.55 8.40 8.26 2fp3A1 ASP 180 HA -0.01 0.04 0.31 -0.75 4.63 4.22 2fp3A1 ASP 180 HB2 -0.00 0.19 -0.20 -0.04 2.71 2.66 2fp3A1 ASP 180 HB3 -0.01 0.03 0.05 -0.04 2.70 2.73 2fp3A1 SER 181 H 0.04 0.05 -1.40 -0.55 8.46 6.60 2fp3A1 SER 181 HA 0.02 0.06 0.34 -0.75 4.49 4.15 2fp3A1 SER 181 HB2 0.04 0.03 0.06 -0.04 3.95 4.04 2fp3A1 SER 181 HB3 0.04 -0.11 -0.02 -0.04 3.93 3.80 2fp3A1 ALA 182 H 0.01 0.00 -0.31 -0.55 8.40 7.56 2fp3A1 ALA 182 HA 0.00 -0.04 0.33 -0.75 4.34 3.88 2fp3A1 ALA 182 HB3 -0.00 0.05 -0.04 -0.04 1.41 1.38 2fp3A1 ILE 183 H -0.00 0.18 -0.00 -0.55 8.25 7.88 2fp3A1 ILE 183 HA -0.00 0.04 0.34 -0.75 4.18 3.80 2fp3A1 ILE 183 HB 0.00 0.27 0.31 -0.04 1.89 2.43 2fp3A1 ILE 183 HG12 0.00 -0.02 -0.23 -0.04 1.49 1.19 2fp3A1 ILE 183 HG13 0.00 -0.02 0.07 -0.04 1.21 1.22 2fp3A1 ILE 183 HG23 0.01 -0.03 -0.47 -0.04 0.93 0.40 2fp3A1 ILE 183 HD13 0.01 -0.01 -0.04 -0.04 0.88 0.80 2fp3A1 LEU 184 H -0.00 0.15 0.08 -0.55 8.37 8.05 2fp3A1 LEU 184 HA -0.03 0.20 0.86 -0.75 4.35 4.63 2fp3A1 LEU 184 HB2 0.00 -0.08 0.04 -0.04 1.64 1.56 2fp3A1 LEU 184 HB3 -0.02 0.07 0.03 -0.04 1.64 1.67 2fp3A1 LEU 184 HG -0.02 0.31 0.11 -0.04 1.64 2.00 2fp3A1 LEU 184 HD13 -0.00 0.01 -0.08 -0.04 0.93 0.81 2fp3A1 LEU 184 HD23 0.02 -0.03 -0.08 -0.04 0.89 0.76 2fp3A1 GLY 185 H -0.09 0.18 0.15 -0.55 8.43 8.13 2fp3A1 GLY 185 HA2 -0.05 0.13 0.61 -0.51 4.01 4.19 2fp3A1 GLY 185 HA3 -0.11 0.07 0.34 -0.51 4.01 3.80 2fp3A1 THR 186 H -0.09 0.25 0.15 -0.55 8.28 8.05 2fp3A1 THR 186 HA -0.10 0.11 0.95 -0.75 4.39 4.60 2fp3A1 THR 186 HB 0.02 -0.00 0.08 -0.04 4.32 4.38 2fp3A1 THR 186 HG23 0.17 0.10 -0.04 -0.04 1.22 1.41 2fp3A1 TYR 187 H -0.11 0.46 0.17 -0.55 8.29 8.26 2fp3A1 TYR 187 HA -0.04 0.01 0.49 -0.75 4.56 4.27 2fp3A1 TYR 187 HB2 -0.07 -0.05 0.14 -0.04 3.06 3.03 2fp3A1 TYR 187 HB3 -0.04 0.22 0.08 -0.04 2.98 3.20 2fp3A1 TYR 187 HD2 -0.18 0.08 -0.09 -0.04 7.15 6.92 2fp3A1 TYR 187 HE2 -0.90 0.04 -0.16 -0.04 6.85 5.79 2fp3A1 LYS 188 H 0.13 0.12 0.26 -0.55 8.42 8.38 2fp3A1 LYS 188 HA 0.08 -0.03 0.46 -0.75 4.32 4.08 2fp3A1 LYS 188 HB2 0.06 0.00 0.21 -0.04 1.87 2.11 2fp3A1 LYS 188 HB3 0.07 0.10 0.23 -0.04 1.79 2.15 2fp3A1 LYS 188 HG2 0.06 -0.13 -0.06 -0.04 1.46 1.29 2fp3A1 LYS 188 HG3 0.05 -0.03 0.06 -0.04 1.46 1.51 2fp3A1 LYS 188 HD2 0.04 -0.05 0.02 -0.04 1.69 1.65 2fp3A1 LYS 188 HD3 0.04 0.02 0.06 -0.04 1.68 1.76 2fp3A1 LYS 188 HE2 0.03 0.02 0.02 -0.04 2.99 3.02 2fp3A1 LYS 188 HE3 0.05 0.11 0.05 -0.04 2.99 3.15 2fp3A1 MET 189 H 0.10 0.09 0.10 -0.55 8.47 8.21 2fp3A1 MET 189 HA 0.10 0.15 0.73 -0.75 4.52 4.74 2fp3A1 MET 189 HB2 0.14 -0.06 0.17 -0.04 2.15 2.35 2fp3A1 MET 189 HB3 0.16 0.08 0.16 -0.04 2.03 2.38 2fp3A1 MET 189 HG2 0.11 0.01 -0.58 -0.04 2.63 2.12 2fp3A1 MET 189 HG3 0.04 0.10 0.01 -0.04 2.56 2.68 2fp3A1 MET 189 HE3 0.25 -0.01 -0.02 -0.04 2.10 2.28 2fp3A1 GLN 190 H 0.08 0.04 0.07 -0.55 8.47 8.12 2fp3A1 GLN 190 HA 0.13 0.42 0.97 -0.75 4.36 5.12 2fp3A1 GLN 190 HB2 0.09 -0.27 0.16 -0.04 2.15 2.08 2fp3A1 GLN 190 HB3 0.10 0.10 -0.07 -0.04 2.02 2.12 2fp3A1 GLN 190 HG2 0.07 -0.10 -0.02 -0.04 2.40 2.31 2fp3A1 GLN 190 HG3 0.06 0.04 -0.04 -0.04 2.39 2.40 2fp3A1 GLN 190 HE21 0.04 0.02 -0.01 -0.04 6.97 6.98 2fp3A1 GLN 190 HE22 0.04 0.01 -0.02 -0.04 7.69 7.68 2fp3A1 SER 191 H 0.05 0.07 0.09 -0.55 8.46 8.12 2fp3A1 SER 191 HA -0.00 0.06 0.46 -0.75 4.49 4.26 2fp3A1 SER 191 HB2 0.00 0.00 0.14 -0.04 3.95 4.05 2fp3A1 SER 191 HB3 0.02 0.11 0.10 -0.04 3.93 4.11 2fp3A1 ARG 192 H -0.20 0.09 0.17 -0.55 8.46 7.97 2fp3A1 ARG 192 HA -0.37 0.44 1.17 -0.75 4.34 4.82 2fp3A1 ARG 192 HB2 -1.40 0.04 0.12 -0.04 1.90 0.62 2fp3A1 ARG 192 HB3 -1.22 0.05 -0.02 -0.04 1.80 0.57 2fp3A1 ARG 192 HG2 -0.34 -0.07 0.08 -0.04 1.67 1.30 2fp3A1 ARG 192 HG3 -0.69 0.00 -0.03 -0.04 1.67 0.91 2fp3A1 ARG 192 HD2 -0.81 0.01 -0.01 -0.04 3.22 2.37 2fp3A1 ARG 192 HD3 -1.01 0.03 -0.03 -0.04 3.22 2.17 2fp3A1 PHE 193 H -0.09 -0.13 0.07 -0.55 8.34 7.63 2fp3A1 PHE 193 HA -0.03 0.30 0.79 -0.75 4.62 4.93 2fp3A1 PHE 193 HB2 -0.03 -0.03 -0.00 -0.04 3.15 3.04 2fp3A1 PHE 193 HB3 -0.01 0.03 0.14 -0.04 3.06 3.18 2fp3A1 PHE 193 HD2 -0.06 -0.01 0.00 -0.04 7.28 7.17 2fp3A1 PHE 193 HE2 -0.10 -0.02 -0.02 -0.04 7.38 7.20 2fp3A1 PHE 193 HZ -0.13 -0.02 -0.02 -0.04 7.32 7.10 2fp3A1 ASN 194 H 0.01 -0.13 -0.02 -0.55 8.53 7.84 2fp3A1 ASN 194 HA 0.05 0.27 0.85 -0.75 4.76 5.17 2fp3A1 ASN 194 HB2 0.04 -0.14 0.10 -0.04 2.88 2.84 2fp3A1 ASN 194 HB3 0.03 0.21 0.20 -0.04 2.79 3.19 2fp3A1 ASN 194 HD21 0.06 0.01 -0.10 -0.04 7.03 6.96 2fp3A1 ASN 194 HD22 0.08 -0.15 -0.06 -0.04 7.74 7.57 2fp3A1 ARG 195 H -0.02 0.24 -0.22 -0.55 8.46 7.92 2fp3A1 ARG 195 HA 0.01 -0.04 0.39 -0.75 4.34 3.94 2fp3A1 ARG 195 HB2 0.05 -0.01 0.00 -0.04 1.90 1.91 2fp3A1 ARG 195 HB3 0.06 0.20 -0.02 -0.04 1.80 2.01 2fp3A1 ARG 195 HG2 0.24 0.15 -0.01 -0.04 1.67 2.02 2fp3A1 ARG 195 HG3 0.36 -0.07 -0.16 -0.04 1.67 1.75 2fp3A1 ARG 195 HD2 0.23 0.12 0.02 -0.04 3.22 3.55 2fp3A1 ARG 195 HD3 0.11 -0.12 0.15 -0.04 3.22 3.32 2fp3A1 GLY 196 H -0.37 0.23 -0.04 -0.55 8.43 7.70 2fp3A1 GLY 196 HA2 -0.51 0.08 0.56 -0.51 4.01 3.62 2fp3A1 GLY 196 HA3 -2.53 0.05 0.30 -0.51 4.01 1.31 2fp3A1 VAL 197 H -0.20 0.74 0.39 -0.55 8.24 8.62 2fp3A1 VAL 197 HA 0.02 0.28 1.09 -0.75 4.13 4.76 2fp3A1 VAL 197 HB 0.29 0.03 0.12 -0.04 2.12 2.52 2fp3A1 VAL 197 HG13 0.40 -0.02 -0.23 -0.04 0.97 1.07 2fp3A1 VAL 197 HG23 0.21 -0.02 -0.21 -0.04 0.95 0.89 2fp3A1 LEU 198 H 0.06 0.66 0.29 -0.55 8.37 8.84 2fp3A1 LEU 198 HA -0.28 0.43 1.14 -0.75 4.35 4.89 2fp3A1 LEU 198 HB2 -0.55 0.01 -0.10 -0.04 1.64 0.96 2fp3A1 LEU 198 HB3 -0.14 -0.01 0.00 -0.04 1.64 1.45 2fp3A1 LEU 198 HG -0.20 -0.12 -0.59 -0.04 1.64 0.69 2fp3A1 LEU 198 HD13 -0.55 0.06 -0.19 -0.04 0.93 0.21 2fp3A1 LEU 198 HD23 -0.52 -0.01 -0.21 -0.04 0.89 0.11 2fp3A1 LEU 199 H -0.29 0.65 0.37 -0.55 8.37 8.55 2fp3A1 LEU 199 HA 0.21 0.23 0.94 -0.75 4.35 4.97 2fp3A1 LEU 199 HB2 0.27 0.04 0.01 -0.04 1.64 1.91 2fp3A1 LEU 199 HB3 0.10 -0.05 0.21 -0.04 1.64 1.86 2fp3A1 LEU 199 HG 0.14 -0.08 -0.29 -0.04 1.64 1.36 2fp3A1 LEU 199 HD13 0.14 0.06 -0.05 -0.04 0.93 1.04 2fp3A1 LEU 199 HD23 0.10 -0.01 -0.08 -0.04 0.89 0.85 2fp3A1 MET 200 H 0.13 0.61 0.14 -0.55 8.47 8.79 2fp3A1 MET 200 HA 0.00 0.21 1.13 -0.75 4.52 5.10 2fp3A1 MET 200 HB2 -0.07 0.01 -0.12 -0.04 2.15 1.93 2fp3A1 MET 200 HB3 0.01 -0.08 0.12 -0.04 2.03 2.04 2fp3A1 MET 200 HG2 0.01 0.08 -0.04 -0.04 2.63 2.63 2fp3A1 MET 200 HG3 -0.05 -0.01 -0.06 -0.04 2.56 2.40 2fp3A1 MET 200 HE3 -0.06 0.07 -0.04 -0.04 2.10 2.02 2fp3A1 VAL 201 H 0.08 0.74 0.33 -0.55 8.24 8.84 2fp3A1 VAL 201 HA 0.19 0.20 1.03 -0.75 4.13 4.80 2fp3A1 VAL 201 HB 0.18 -0.04 0.17 -0.04 2.12 2.39 2fp3A1 VAL 201 HG13 0.19 -0.01 -0.15 -0.04 0.97 0.95 2fp3A1 VAL 201 HG23 0.22 -0.00 -0.24 -0.04 0.95 0.89 2fp3A1 ASN 202 H 0.09 0.70 0.22 -0.55 8.53 9.00 2fp3A1 ASN 202 HA 0.03 0.16 1.02 -0.75 4.76 5.22 2fp3A1 ASN 202 HB2 0.04 -0.01 0.01 -0.04 2.88 2.88 2fp3A1 ASN 202 HB3 0.03 -0.03 0.20 -0.04 2.79 2.95 2fp3A1 ASN 202 HD21 0.05 0.10 -0.10 -0.04 7.03 7.03 2fp3A1 ASN 202 HD22 0.03 -0.06 -0.07 -0.04 7.74 7.60 2fp3A1 ILE 203 H -0.02 0.61 0.23 -0.55 8.25 8.51 2fp3A1 ILE 203 HA -0.05 -0.01 0.53 -0.75 4.18 3.90 2fp3A1 ILE 203 HB -0.06 0.07 0.23 -0.04 1.89 2.09 2fp3A1 ILE 203 HG12 0.05 -0.07 0.08 -0.04 1.49 1.50 2fp3A1 ILE 203 HG13 0.00 0.08 -0.06 -0.04 1.21 1.20 2fp3A1 ILE 203 HG23 -0.30 -0.07 -0.07 -0.04 0.93 0.45 2fp3A1 ILE 203 HD13 -0.01 -0.03 0.10 -0.04 0.88 0.90 2fp3A1 MET 204 H -0.13 0.05 0.16 -0.55 8.47 8.00 2fp3A1 MET 204 HA -0.02 0.24 0.93 -0.75 4.52 4.93 2fp3A1 MET 204 HB2 -0.01 0.00 0.16 -0.04 2.15 2.26 2fp3A1 MET 204 HB3 -0.04 0.06 -0.16 -0.04 2.03 1.85 2fp3A1 MET 204 HG2 -0.03 0.04 -0.00 -0.04 2.63 2.59 2fp3A1 MET 204 HG3 -0.03 -0.00 -0.09 -0.04 2.56 2.40 2fp3A1 MET 204 HE3 0.01 0.02 0.00 -0.04 2.10 2.08 2fp3A1 ASP 205 H -0.40 0.11 0.09 -0.55 8.40 7.65 2fp3A1 ASP 205 HA -0.04 0.15 0.87 -0.75 4.63 4.86 2fp3A1 ASP 205 HB2 -0.12 -0.10 0.08 -0.04 2.71 2.53 2fp3A1 ASP 205 HB3 -0.07 0.11 -0.06 -0.04 2.70 2.65 2fp3A1 TYR 206 H 0.13 0.17 0.04 -0.55 8.29 8.07 2fp3A1 TYR 206 HA 0.04 0.38 0.88 -0.75 4.56 5.11 2fp3A1 TYR 206 HB2 0.05 -0.10 -0.02 -0.04 3.06 2.96 2fp3A1 TYR 206 HB3 0.05 0.06 0.14 -0.04 2.98 3.19 2fp3A1 TYR 206 HD2 0.07 0.03 -0.24 -0.04 7.15 6.97 2fp3A1 TYR 206 HE2 -0.10 0.01 -0.28 -0.04 6.85 6.45 2fp3A1 PRO 207 HA 0.06 0.06 0.39 -0.51 4.44 4.44 2fp3A1 PRO 207 HB2 0.07 -0.07 0.08 -0.04 2.28 2.33 2fp3A1 PRO 207 HB3 0.05 0.05 0.07 -0.04 2.02 2.15 2fp3A1 PRO 207 HG2 0.09 0.04 0.09 -0.04 2.03 2.21 2fp3A1 PRO 207 HG3 0.09 0.09 0.06 -0.04 2.03 2.23 2fp3A1 PRO 207 HD2 0.27 0.05 0.20 -0.04 3.68 4.16 2fp3A1 PRO 207 HD3 0.19 0.23 0.18 -0.04 3.65 4.21 2fp3A1 ASP 208 H 0.09 0.05 -0.23 -0.55 8.40 7.76 2fp3A1 ASP 208 HA 0.04 0.24 0.87 -0.75 4.63 5.02 2fp3A1 ASP 208 HB2 0.03 0.08 -0.15 -0.04 2.71 2.64 2fp3A1 ASP 208 HB3 0.03 -0.08 -0.01 -0.04 2.70 2.60 2fp3A1 GLN 209 H 0.03 0.22 0.12 -0.55 8.47 8.30 2fp3A1 GLN 209 HA 0.05 0.04 0.40 -0.75 4.36 4.10 2fp3A1 GLN 209 HB2 0.02 0.03 0.17 -0.04 2.15 2.33 2fp3A1 GLN 209 HB3 0.02 0.04 0.23 -0.04 2.02 2.27 2fp3A1 GLN 209 HG2 0.02 0.01 0.06 -0.04 2.40 2.45 2fp3A1 GLN 209 HG3 0.02 -0.01 0.12 -0.04 2.39 2.48 2fp3A1 GLN 209 HE21 0.01 0.02 0.03 -0.04 6.97 6.99 2fp3A1 GLN 209 HE22 0.02 -0.01 0.03 -0.04 7.69 7.68 2fp3A1 ASN 210 H 0.05 0.77 -0.44 -0.55 8.53 8.36 2fp3A1 ASN 210 HA 0.01 0.24 0.87 -0.75 4.76 5.12 2fp3A1 ASN 210 HB2 0.01 -0.01 -0.09 -0.04 2.88 2.75 2fp3A1 ASN 210 HB3 0.01 -0.06 0.06 -0.04 2.79 2.76 2fp3A1 ASN 210 HD21 -0.02 0.01 -0.03 -0.04 7.03 6.95 2fp3A1 ASN 210 HD22 -0.01 -0.01 -0.03 -0.04 7.74 7.65 2fp3A1 ARG 211 H 0.05 0.16 0.15 -0.55 8.46 8.27 2fp3A1 ARG 211 HA -0.04 0.19 0.51 -0.75 4.34 4.25 2fp3A1 ARG 211 HB2 -0.00 -0.04 0.02 -0.04 1.90 1.83 2fp3A1 ARG 211 HB3 -0.27 0.02 0.11 -0.04 1.80 1.63 2fp3A1 ARG 211 HG2 -0.13 0.06 -0.05 -0.04 1.67 1.51 2fp3A1 ARG 211 HG3 -0.05 -0.06 0.05 -0.04 1.67 1.57 2fp3A1 ARG 211 HD2 -0.14 0.02 -0.01 -0.04 3.22 3.04 2fp3A1 ARG 211 HD3 -0.24 -0.02 0.00 -0.04 3.22 2.92 2fp3A1 ARG 212 H 0.09 0.02 -0.79 -0.55 8.46 7.22 2fp3A1 ARG 212 HA 0.17 0.09 0.33 -0.75 4.34 4.18 2fp3A1 ARG 212 HB2 0.07 -0.09 0.02 -0.04 1.90 1.85 2fp3A1 ARG 212 HB3 0.05 0.08 -0.02 -0.04 1.80 1.87 2fp3A1 ARG 212 HG2 0.04 -0.06 -0.40 -0.04 1.67 1.21 2fp3A1 ARG 212 HG3 0.04 0.12 -0.02 -0.04 1.67 1.77 2fp3A1 ARG 212 HD2 0.03 -0.03 0.00 -0.04 3.22 3.18 2fp3A1 ARG 212 HD3 0.03 0.03 -0.02 -0.04 3.22 3.22 2fp3A1 ARG 213 H 0.13 0.16 0.19 -0.55 8.46 8.40 2fp3A1 ARG 213 HA 0.03 0.11 0.45 -0.75 4.34 4.18 2fp3A1 ARG 213 HB2 -0.05 -0.03 0.26 -0.04 1.90 2.04 2fp3A1 ARG 213 HB3 -0.11 -0.08 0.05 -0.04 1.80 1.63 2fp3A1 ARG 213 HG2 -0.09 -0.00 -0.01 -0.04 1.67 1.53 2fp3A1 ARG 213 HG3 -0.08 0.13 0.06 -0.04 1.67 1.73 2fp3A1 ARG 213 HD2 -0.91 -0.02 -0.13 -0.04 3.22 2.12 2fp3A1 ARG 213 HD3 -0.37 0.17 0.03 -0.04 3.22 3.00 2fp3A1 ILE 214 H 0.03 0.41 0.26 -0.55 8.25 8.40 2fp3A1 ILE 214 HA 0.02 -0.03 0.53 -0.75 4.18 3.95 2fp3A1 ILE 214 HB 0.02 0.05 0.14 -0.04 1.89 2.06 2fp3A1 ILE 214 HG12 0.02 -0.07 -0.03 -0.04 1.49 1.37 2fp3A1 ILE 214 HG13 0.02 0.24 0.01 -0.04 1.21 1.44 2fp3A1 ILE 214 HG23 0.02 -0.00 -0.08 -0.04 0.93 0.82 2fp3A1 ILE 214 HD13 0.01 0.00 0.02 -0.04 0.88 0.88 2fp3A1 GLY 215 H 0.02 0.09 0.22 -0.55 8.43 8.22 2fp3A1 GLY 215 HA2 0.03 0.02 0.36 -0.51 4.01 3.92 2fp3A1 GLY 215 HA3 0.05 0.31 0.82 -0.51 4.01 4.67 2fp3A1 ALA 216 H 0.02 0.38 -0.08 -0.55 8.40 8.17 2fp3A1 ALA 216 HA 0.06 0.07 0.38 -0.75 4.34 4.10 2fp3A1 ALA 216 HB3 -0.02 0.04 0.04 -0.04 1.41 1.43 2fp3A1 GLU 217 H 0.02 0.11 -0.06 -0.55 8.60 8.13 2fp3A1 GLU 217 HA 0.02 0.08 0.37 -0.75 4.29 4.00 2fp3A1 GLU 217 HB2 0.02 0.07 0.05 -0.04 2.09 2.18 2fp3A1 GLU 217 HB3 0.02 0.03 0.09 -0.04 1.99 2.09 2fp3A1 GLU 217 HG2 0.02 0.08 -0.19 -0.04 2.34 2.20 2fp3A1 GLU 217 HG3 0.02 0.08 -0.03 -0.04 2.34 2.37 2fp3A1 LYS 218 H 0.03 0.20 -0.64 -0.55 8.42 7.46 2fp3A1 LYS 218 HA 0.02 0.06 0.38 -0.75 4.32 4.02 2fp3A1 LYS 218 HB2 0.03 -0.06 0.11 -0.04 1.87 1.91 2fp3A1 LYS 218 HB3 0.05 0.10 0.04 -0.04 1.79 1.94 2fp3A1 LYS 218 HG2 0.01 -0.02 0.05 -0.04 1.46 1.47 2fp3A1 LYS 218 HG3 0.02 0.03 0.03 -0.04 1.46 1.50 2fp3A1 LYS 218 HD2 0.02 0.01 -0.11 -0.04 1.69 1.57 2fp3A1 LYS 218 HD3 0.00 -0.07 0.12 -0.04 1.68 1.70 2fp3A1 LYS 218 HE2 -0.01 0.01 0.01 -0.04 2.99 2.96 2fp3A1 LYS 218 HE3 0.01 0.02 -0.00 -0.04 2.99 2.97 2fp3A1 ASP 219 H 0.06 0.46 -0.21 -0.55 8.40 8.16 2fp3A1 ASP 219 HA 0.05 0.07 0.49 -0.75 4.63 4.48 2fp3A1 ASP 219 HB2 0.10 0.14 0.15 -0.04 2.71 3.06 2fp3A1 ASP 219 HB3 0.11 -0.03 -0.01 -0.04 2.70 2.72 2fp3A1 SER 220 H 0.03 0.30 -0.08 -0.55 8.46 8.17 2fp3A1 SER 220 HA 0.01 0.02 0.32 -0.75 4.49 4.07 2fp3A1 SER 220 HB2 0.00 0.12 0.11 -0.04 3.95 4.14 2fp3A1 SER 220 HB3 -0.02 0.02 -0.01 -0.04 3.93 3.88 2fp3A1 LYS 221 H 0.00 0.41 -0.34 -0.55 8.42 7.94 2fp3A1 LYS 221 HA -0.03 0.04 0.36 -0.75 4.32 3.93 2fp3A1 LYS 221 HB2 -0.01 0.10 0.09 -0.04 1.87 2.02 2fp3A1 LYS 221 HB3 -0.01 0.02 0.01 -0.04 1.79 1.77 2fp3A1 LYS 221 HG2 0.00 -0.04 0.00 -0.04 1.46 1.39 2fp3A1 LYS 221 HG3 0.00 0.33 0.10 -0.04 1.46 1.85 2fp3A1 LYS 221 HD2 -0.00 -0.01 0.00 -0.04 1.69 1.64 2fp3A1 LYS 221 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.64 2fp3A1 LYS 221 HE2 0.01 -0.08 -0.25 -0.04 2.99 2.63 2fp3A1 LYS 221 HE3 0.01 -0.03 -0.08 -0.04 2.99 2.85 2fp3A1 SER 222 H 0.01 0.38 -0.14 -0.55 8.46 8.16 2fp3A1 SER 222 HA 0.02 0.04 0.40 -0.75 4.49 4.20 2fp3A1 SER 222 HB2 0.01 0.04 0.16 -0.04 3.95 4.13 2fp3A1 SER 222 HB3 -0.02 -0.04 0.01 -0.04 3.93 3.83 2fp3A1 LEU 223 H 0.03 0.66 -0.11 -0.55 8.37 8.41 2fp3A1 LEU 223 HA 0.11 0.01 0.33 -0.75 4.35 4.04 2fp3A1 LEU 223 HB2 0.03 0.06 0.05 -0.04 1.64 1.74 2fp3A1 LEU 223 HB3 0.10 -0.02 -0.10 -0.04 1.64 1.57 2fp3A1 LEU 223 HG 0.09 0.02 -0.03 -0.04 1.64 1.68 2fp3A1 LEU 223 HD13 0.05 -0.03 -0.15 -0.04 0.93 0.76 2fp3A1 LEU 223 HD23 0.24 -0.01 -0.08 -0.04 0.89 1.00 2fp3A1 ILE 224 H -0.03 0.62 -0.15 -0.55 8.25 8.14 2fp3A1 ILE 224 HA -0.07 -0.02 0.30 -0.75 4.18 3.64 2fp3A1 ILE 224 HB -0.16 0.07 0.13 -0.04 1.89 1.90 2fp3A1 ILE 224 HG12 -0.38 -0.05 -0.04 -0.04 1.49 0.99 2fp3A1 ILE 224 HG13 -0.16 -0.00 0.04 -0.04 1.21 1.05 2fp3A1 ILE 224 HG23 -0.48 -0.01 -0.20 -0.04 0.93 0.21 2fp3A1 ILE 224 HD13 -0.43 -0.03 -0.11 -0.04 0.88 0.27 2fp3A1 HIS 225 H 0.05 0.70 -0.11 -0.55 8.41 8.50 2fp3A1 HIS 225 HA -0.05 0.00 0.32 -0.75 4.63 4.15 2fp3A1 HIS 225 HB2 -0.05 0.00 -0.06 -0.04 3.26 3.12 2fp3A1 HIS 225 HB3 -0.08 0.07 0.14 -0.04 3.20 3.29 2fp3A1 HIS 225 HD2 -0.11 -0.05 -0.13 -0.04 6.97 6.64 2fp3A1 HIS 225 HE1 -0.05 -0.03 -0.04 -0.04 7.75 7.59 2fp3A1 LEU 226 H -0.11 0.65 -0.13 -0.55 8.37 8.23 2fp3A1 LEU 226 HA -0.51 0.02 0.34 -0.75 4.35 3.44 2fp3A1 LEU 226 HB2 -0.31 -0.03 0.08 -0.04 1.64 1.34 2fp3A1 LEU 226 HB3 -0.33 0.09 0.13 -0.04 1.64 1.48 2fp3A1 LEU 226 HG -1.22 0.01 -0.43 -0.04 1.64 -0.04 2fp3A1 LEU 226 HD13 -0.54 0.00 -0.06 -0.04 0.93 0.29 2fp3A1 LEU 226 HD23 -0.70 -0.04 -0.08 -0.04 0.89 0.03 2fp3A1 PHE 227 H -0.10 0.66 -0.15 -0.55 8.34 8.20 2fp3A1 PHE 227 HA -0.38 0.05 0.53 -0.75 4.62 4.07 2fp3A1 PHE 227 HB2 -0.19 0.11 -0.00 -0.04 3.15 3.03 2fp3A1 PHE 227 HB3 -0.22 -0.06 -0.08 -0.04 3.06 2.66 2fp3A1 PHE 227 HD2 -0.90 0.16 -0.08 -0.04 7.28 6.42 2fp3A1 PHE 227 HE2 -0.43 -0.03 -0.13 -0.04 7.38 6.75 2fp3A1 PHE 227 HZ -0.12 -0.05 -0.14 -0.04 7.32 6.98 2fp3A1 GLN 228 H -0.10 0.59 -0.20 -0.55 8.47 8.21 2fp3A1 GLN 228 HA 0.04 0.10 0.54 -0.75 4.36 4.29 2fp3A1 GLN 228 HB2 -0.07 0.18 0.19 -0.04 2.15 2.41 2fp3A1 GLN 228 HB3 0.01 -0.07 0.04 -0.04 2.02 1.96 2fp3A1 GLN 228 HG2 0.08 -0.01 0.03 -0.04 2.40 2.46 2fp3A1 GLN 228 HG3 0.01 0.16 -0.02 -0.04 2.39 2.49 2fp3A1 GLN 228 HE21 0.24 0.48 0.04 -0.04 6.97 7.69 2fp3A1 GLN 228 HE22 0.23 -0.01 -0.05 -0.04 7.69 7.82 2fp3A1 GLU 229 H -0.25 0.45 -0.16 -0.55 8.60 8.09 2fp3A1 GLU 229 HA -0.08 0.05 0.49 -0.75 4.29 3.99 2fp3A1 GLU 229 HB2 -0.31 0.14 0.07 -0.04 2.09 1.95 2fp3A1 GLU 229 HB3 -0.15 -0.02 0.09 -0.04 1.99 1.87 2fp3A1 GLU 229 HG2 -0.49 0.28 0.11 -0.04 2.34 2.20 2fp3A1 GLU 229 HG3 -0.47 -0.04 0.00 -0.04 2.34 1.79 2fp3A1 LEU 230 H -0.18 0.15 -0.52 -0.55 8.37 7.28 2fp3A1 LEU 230 HA -0.02 0.08 0.66 -0.75 4.35 4.31 2fp3A1 LEU 230 HB2 -0.33 -0.00 0.01 -0.04 1.64 1.27 2fp3A1 LEU 230 HB3 -0.07 -0.01 0.04 -0.04 1.64 1.56 2fp3A1 LEU 230 HG -0.63 0.35 -0.04 -0.04 1.64 1.28 2fp3A1 LEU 230 HD13 -1.25 -0.05 -0.11 -0.04 0.93 -0.52 2fp3A1 LEU 230 HD23 -0.26 -0.01 -0.13 -0.04 0.89 0.46 2fp3A1 ASN 231 H 0.05 0.25 -0.77 -0.55 8.53 7.51 2fp3A1 ASN 231 HA 0.10 0.13 0.32 -0.75 4.76 4.55 2fp3A1 ASN 231 HB2 0.13 0.17 0.02 -0.04 2.88 3.16 2fp3A1 ASN 231 HB3 0.06 -0.07 0.14 -0.04 2.79 2.88 2fp3A1 ASN 231 HD21 0.05 -0.06 0.01 -0.04 7.03 6.99 2fp3A1 ASN 231 HD22 0.05 -0.01 0.04 -0.04 7.74 7.78 2fp3A1 PHE 232 H 0.34 0.57 -0.04 -0.55 8.34 8.66 2fp3A1 PHE 232 HA 0.08 0.09 0.66 -0.75 4.62 4.69 2fp3A1 PHE 232 HB2 0.17 0.03 -0.11 -0.04 3.15 3.20 2fp3A1 PHE 232 HB3 0.01 -0.03 -0.35 -0.04 3.06 2.65 2fp3A1 PHE 232 HD2 0.03 0.04 -0.59 -0.04 7.28 6.71 2fp3A1 PHE 232 HE2 0.19 0.05 -0.24 -0.04 7.38 7.33 2fp3A1 PHE 232 HZ 0.45 -0.01 -0.17 -0.04 7.32 7.55 2fp3A1 THR 233 H -0.01 0.76 0.41 -0.55 8.28 8.90 2fp3A1 THR 233 HA -0.09 0.10 0.71 -0.75 4.39 4.36 2fp3A1 THR 233 HB -0.03 0.02 0.25 -0.04 4.32 4.52 2fp3A1 THR 233 HG23 -0.61 -0.03 -0.10 -0.04 1.22 0.44 2fp3A1 ILE 234 H -0.22 0.22 0.19 -0.55 8.25 7.89 2fp3A1 ILE 234 HA -0.18 0.22 1.13 -0.75 4.18 4.61 2fp3A1 ILE 234 HB -0.06 -0.02 0.12 -0.04 1.89 1.89 2fp3A1 ILE 234 HG12 0.01 -0.03 -0.34 -0.04 1.49 1.09 2fp3A1 ILE 234 HG13 0.02 0.15 -0.37 -0.04 1.21 0.96 2fp3A1 ILE 234 HG23 -0.12 -0.02 -0.18 -0.04 0.93 0.56 2fp3A1 ILE 234 HD13 0.00 -0.02 -0.16 -0.04 0.88 0.66 2fp3A1 PHE 235 H 0.03 0.76 0.31 -0.55 8.34 8.88 2fp3A1 PHE 235 HA -0.04 0.26 0.92 -0.75 4.62 5.01 2fp3A1 PHE 235 HB2 0.15 -0.03 0.23 -0.04 3.15 3.45 2fp3A1 PHE 235 HB3 0.26 -0.02 0.03 -0.04 3.06 3.29 2fp3A1 PHE 235 HD2 0.01 0.04 -0.18 -0.04 7.28 7.11 2fp3A1 PHE 235 HE2 -0.16 0.02 -0.24 -0.04 7.38 6.97 2fp3A1 PHE 235 HZ -1.19 -0.02 -0.09 -0.04 7.32 5.98 2fp3A1 PRO 236 HA 0.09 0.27 0.96 -0.51 4.44 5.25 2fp3A1 PRO 236 HB2 -0.05 -0.02 -0.02 -0.04 2.28 2.15 2fp3A1 PRO 236 HB3 -0.10 -0.01 0.01 -0.04 2.02 1.88 2fp3A1 PRO 236 HG2 -0.02 0.01 0.12 -0.04 2.03 2.09 2fp3A1 PRO 236 HG3 0.03 0.03 0.04 -0.04 2.03 2.08 2fp3A1 PRO 236 HD2 -0.05 0.21 0.27 -0.04 3.68 4.08 2fp3A1 PRO 236 HD3 -0.03 0.16 -0.23 -0.04 3.65 3.51 2fp3A1 TYR 237 H 0.22 0.65 0.47 -0.55 8.29 9.08 2fp3A1 TYR 237 HA 0.06 0.15 0.85 -0.75 4.56 4.87 2fp3A1 TYR 237 HB2 0.09 -0.02 0.03 -0.04 3.06 3.12 2fp3A1 TYR 237 HB3 0.07 -0.08 -0.02 -0.04 2.98 2.91 2fp3A1 TYR 237 HD2 0.07 0.03 -0.18 -0.04 7.15 7.03 2fp3A1 TYR 237 HE2 0.08 0.01 -0.13 -0.04 6.85 6.78 2fp3A1 GLY 238 H 0.15 0.12 0.05 -0.55 8.43 8.21 2fp3A1 GLY 238 HA2 0.06 0.29 0.85 -0.51 4.01 4.71 2fp3A1 GLY 238 HA3 0.06 -0.06 0.44 -0.51 4.01 3.94 2fp3A1 ASN 239 H 0.03 0.11 0.18 -0.55 8.53 8.31 2fp3A1 ASN 239 HA -0.00 0.04 0.64 -0.75 4.76 4.69 2fp3A1 ASN 239 HB2 -0.01 0.05 0.17 -0.04 2.88 3.06 2fp3A1 ASN 239 HB3 -0.05 0.00 0.09 -0.04 2.79 2.79 2fp3A1 ASN 239 HD21 -0.05 0.03 -0.01 -0.04 7.03 6.96 2fp3A1 ASN 239 HD22 -0.03 0.07 0.06 -0.04 7.74 7.80 2fp3A1 VAL 240 H 0.08 0.23 0.31 -0.55 8.24 8.31 2fp3A1 VAL 240 HA 0.05 0.17 0.72 -0.75 4.13 4.32 2fp3A1 VAL 240 HB 0.05 -0.09 0.01 -0.04 2.12 2.04 2fp3A1 VAL 240 HG13 0.08 0.04 -0.34 -0.04 0.97 0.71 2fp3A1 VAL 240 HG23 0.21 0.03 -0.13 -0.04 0.95 1.03 2fp3A1 ASN 241 H 0.01 0.18 0.18 -0.55 8.53 8.35 2fp3A1 ASN 241 HA 0.07 0.04 0.83 -0.75 4.76 4.94 2fp3A1 ASN 241 HB2 -0.00 -0.00 0.18 -0.04 2.88 3.01 2fp3A1 ASN 241 HB3 0.02 0.10 0.10 -0.04 2.79 2.98 2fp3A1 ASN 241 HD21 0.00 0.12 0.04 -0.04 7.03 7.15 2fp3A1 ASN 241 HD22 0.01 0.08 0.05 -0.04 7.74 7.84 2fp3A1 GLN 242 H -0.14 0.15 0.12 -0.55 8.47 8.05 2fp3A1 GLN 242 HA -1.36 0.13 0.26 -0.75 4.36 2.64 2fp3A1 GLN 242 HB2 -0.03 0.01 0.01 -0.04 2.15 2.10 2fp3A1 GLN 242 HB3 -0.04 -0.03 0.07 -0.04 2.02 1.97 2fp3A1 GLN 242 HG2 0.08 0.03 -0.24 -0.04 2.40 2.23 2fp3A1 GLN 242 HG3 0.18 0.02 -0.07 -0.04 2.39 2.47 2fp3A1 GLN 242 HE21 0.03 0.05 0.01 -0.04 6.97 7.02 2fp3A1 GLN 242 HE22 -0.02 0.00 -0.06 -0.04 7.69 7.57 2fp3A1 ASP 243 H -0.06 0.01 -0.26 -0.55 8.40 7.54 2fp3A1 ASP 243 HA 0.03 0.16 0.40 -0.75 4.63 4.47 2fp3A1 ASP 243 HB2 -0.01 0.00 0.05 -0.04 2.71 2.71 2fp3A1 ASP 243 HB3 -0.02 -0.06 0.02 -0.04 2.70 2.61 2fp3A1 GLN 244 H -0.04 -0.04 -0.15 -0.55 8.47 7.69 2fp3A1 GLN 244 HA -0.04 0.14 0.44 -0.75 4.36 4.14 2fp3A1 GLN 244 HB2 -0.02 -0.12 0.17 -0.04 2.15 2.14 2fp3A1 GLN 244 HB3 -0.03 0.11 0.04 -0.04 2.02 2.10 2fp3A1 GLN 244 HG2 -0.01 0.12 0.04 -0.04 2.40 2.51 2fp3A1 GLN 244 HG3 -0.01 -0.12 0.08 -0.04 2.39 2.30 2fp3A1 GLN 244 HE21 0.03 0.06 0.03 -0.04 6.97 7.05 2fp3A1 GLN 244 HE22 0.02 0.06 0.02 -0.04 7.69 7.74 2fp3A1 PHE 245 H -0.06 0.62 -0.17 -0.55 8.34 8.18 2fp3A1 PHE 245 HA -0.20 0.04 0.26 -0.75 4.62 3.97 2fp3A1 PHE 245 HB2 -0.27 -0.03 -0.10 -0.04 3.15 2.70 2fp3A1 PHE 245 HB3 -0.62 0.09 0.01 -0.04 3.06 2.50 2fp3A1 PHE 245 HD2 -0.63 -0.00 -0.13 -0.04 7.28 6.48 2fp3A1 PHE 245 HE2 -0.24 0.02 -0.12 -0.04 7.38 7.01 2fp3A1 PHE 245 HZ 0.02 0.04 -0.11 -0.04 7.32 7.23 2fp3A1 PHE 246 H 0.05 0.40 -0.20 -0.55 8.34 8.04 2fp3A1 PHE 246 HA -0.45 0.05 0.42 -0.75 4.62 3.89 2fp3A1 PHE 246 HB2 -0.09 0.08 0.06 -0.04 3.15 3.16 2fp3A1 PHE 246 HB3 -0.11 0.02 0.01 -0.04 3.06 2.94 2fp3A1 PHE 246 HD2 -0.05 0.22 0.03 -0.04 7.28 7.43 2fp3A1 PHE 246 HE2 0.14 -0.00 -0.15 -0.04 7.38 7.33 2fp3A1 PHE 246 HZ 0.22 -0.09 -0.12 -0.04 7.32 7.29 2fp3A1 LYS 247 H -0.10 0.29 -0.49 -0.55 8.42 7.57 2fp3A1 LYS 247 HA -0.07 0.10 0.60 -0.75 4.32 4.20 2fp3A1 LYS 247 HB2 -0.04 0.05 0.10 -0.04 1.87 1.94 2fp3A1 LYS 247 HB3 -0.08 0.06 0.15 -0.04 1.79 1.87 2fp3A1 LYS 247 HG2 -0.06 0.01 -0.12 -0.04 1.46 1.25 2fp3A1 LYS 247 HG3 -0.04 0.00 0.04 -0.04 1.46 1.42 2fp3A1 LYS 247 HD2 -0.02 -0.02 -0.02 -0.04 1.69 1.58 2fp3A1 LYS 247 HD3 -0.03 -0.03 -0.03 -0.04 1.68 1.55 2fp3A1 LYS 247 HE2 -0.02 0.03 -0.03 -0.04 2.99 2.92 2fp3A1 LYS 247 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 2fp3A1 LEU 248 H -0.26 0.59 0.02 -0.55 8.37 8.17 2fp3A1 LEU 248 HA -0.21 0.04 0.35 -0.75 4.35 3.78 2fp3A1 LEU 248 HB2 -0.50 0.10 0.11 -0.04 1.64 1.30 2fp3A1 LEU 248 HB3 -0.57 0.00 -0.07 -0.04 1.64 0.96 2fp3A1 LEU 248 HG -0.28 0.17 -0.05 -0.04 1.64 1.44 2fp3A1 LEU 248 HD13 -0.91 -0.02 -0.12 -0.04 0.93 -0.16 2fp3A1 LEU 248 HD23 -0.23 -0.01 -0.06 -0.04 0.89 0.56 2fp3A1 LEU 249 H -0.56 0.54 -0.12 -0.55 8.37 7.69 2fp3A1 LEU 249 HA -0.31 0.02 0.32 -0.75 4.35 3.63 2fp3A1 LEU 249 HB2 -0.94 0.00 0.04 -0.04 1.64 0.71 2fp3A1 LEU 249 HB3 -0.68 0.02 0.07 -0.04 1.64 1.02 2fp3A1 LEU 249 HG -1.48 0.07 -0.25 -0.04 1.64 -0.06 2fp3A1 LEU 249 HD13 -0.19 -0.01 -0.05 -0.04 0.93 0.64 2fp3A1 LEU 249 HD23 -0.53 -0.01 -0.06 -0.04 0.89 0.25 2fp3A1 THR 250 H -0.26 0.34 -0.36 -0.55 8.28 7.45 2fp3A1 THR 250 HA 0.02 0.08 0.35 -0.75 4.39 4.08 2fp3A1 THR 250 HB -0.07 0.07 0.11 -0.04 4.32 4.39 2fp3A1 THR 250 HG23 -0.01 -0.00 -0.06 -0.04 1.22 1.11 2fp3A1 MET 251 H -0.12 0.50 -0.22 -0.55 8.47 8.08 2fp3A1 MET 251 HA -0.05 0.02 0.36 -0.75 4.52 4.09 2fp3A1 MET 251 HB2 -0.09 0.20 0.16 -0.04 2.15 2.38 2fp3A1 MET 251 HB3 -0.10 0.03 0.02 -0.04 2.03 1.93 2fp3A1 MET 251 HG2 -0.03 -0.03 0.00 -0.04 2.63 2.53 2fp3A1 MET 251 HG3 -0.03 -0.02 0.02 -0.04 2.56 2.48 2fp3A1 MET 251 HE3 -0.03 -0.02 -0.11 -0.04 2.10 1.90 2fp3A1 VAL 252 H -0.13 0.55 -0.24 -0.55 8.24 7.87 2fp3A1 VAL 252 HA -0.18 -0.00 0.50 -0.75 4.13 3.69 2fp3A1 VAL 252 HB -0.05 0.10 0.13 -0.04 2.12 2.26 2fp3A1 VAL 252 HG13 0.19 -0.02 -0.19 -0.04 0.97 0.90 2fp3A1 VAL 252 HG23 -0.26 0.01 -0.04 -0.04 0.95 0.62 2fp3A1 THR 253 H -0.07 0.70 0.04 -0.55 8.28 8.40 2fp3A1 THR 253 HA -0.03 0.03 0.32 -0.75 4.39 3.95 2fp3A1 THR 253 HB -0.16 -0.00 0.01 -0.04 4.32 4.13 2fp3A1 THR 253 HG23 -0.34 -0.01 -0.05 -0.04 1.22 0.78 2fp3A1 SER 254 H -0.03 0.34 -0.53 -0.55 8.46 7.70 2fp3A1 SER 254 HA -0.19 0.12 0.72 -0.75 4.49 4.38 2fp3A1 SER 254 HB2 -0.05 0.24 0.11 -0.04 3.95 4.22 2fp3A1 SER 254 HB3 -0.04 -0.12 0.09 -0.04 3.93 3.82 2fp3A1 SER 255 H 0.09 0.38 -0.44 -0.55 8.46 7.94 2fp3A1 SER 255 HA 0.10 0.04 0.48 -0.75 4.49 4.36 2fp3A1 SER 255 HB2 0.24 -0.13 0.18 -0.04 3.95 4.20 2fp3A1 SER 255 HB3 0.04 0.27 0.32 -0.04 3.93 4.52 2fp3A1 SER 256 H 0.02 0.15 0.21 -0.55 8.46 8.29 2fp3A1 SER 256 HA -0.08 0.13 0.44 -0.75 4.49 4.23 2fp3A1 SER 256 HB2 -0.15 0.03 0.07 -0.04 3.95 3.85 2fp3A1 SER 256 HB3 -0.09 0.03 0.15 -0.04 3.93 3.98 2fp3A1 TYR 257 H 0.08 0.03 -0.23 -0.55 8.29 7.62 2fp3A1 TYR 257 HA 0.08 0.07 0.29 -0.75 4.56 4.25 2fp3A1 TYR 257 HB2 0.23 -0.01 0.03 -0.04 3.06 3.27 2fp3A1 TYR 257 HB3 0.25 0.05 -0.06 -0.04 2.98 3.19 2fp3A1 TYR 257 HD2 0.13 0.01 0.03 -0.04 7.15 7.28 2fp3A1 TYR 257 HE2 0.12 0.03 0.01 -0.04 6.85 6.98 2fp3A1 VAL 258 H 0.26 0.15 -0.24 -0.55 8.24 7.85 2fp3A1 VAL 258 HA 0.21 0.03 0.44 -0.75 4.13 4.05 2fp3A1 VAL 258 HB 0.23 0.15 0.00 -0.04 2.12 2.46 2fp3A1 VAL 258 HG13 0.16 -0.00 -0.20 -0.04 0.97 0.89 2fp3A1 VAL 258 HG23 0.30 -0.06 -0.12 -0.04 0.95 1.03 2fp3A1 GLN 259 H -0.01 0.35 -0.35 -0.55 8.47 7.91 2fp3A1 GLN 259 HA -0.53 0.03 0.36 -0.75 4.36 3.47 2fp3A1 GLN 259 HB2 -1.18 0.02 0.05 -0.04 2.15 1.00 2fp3A1 GLN 259 HB3 -0.32 0.13 0.17 -0.04 2.02 1.95 2fp3A1 GLN 259 HG2 -0.33 0.00 -0.21 -0.04 2.40 1.82 2fp3A1 GLN 259 HG3 -0.85 -0.01 0.04 -0.04 2.39 1.54 2fp3A1 GLN 259 HE21 -0.09 -0.07 -0.01 -0.04 6.97 6.76 2fp3A1 GLN 259 HE22 -0.27 0.01 -0.01 -0.04 7.69 7.38 2fp3A1 ASN 260 H -0.04 0.25 -0.37 -0.55 8.53 7.82 2fp3A1 ASN 260 HA -0.04 0.23 0.95 -0.75 4.76 5.15 2fp3A1 ASN 260 HB2 -0.01 0.02 0.03 -0.04 2.88 2.87 2fp3A1 ASN 260 HB3 -0.01 -0.10 0.13 -0.04 2.79 2.76 2fp3A1 ASN 260 HD21 -0.09 -0.08 -0.03 -0.04 7.03 6.79 2fp3A1 ASN 260 HD22 -0.07 0.00 -0.03 -0.04 7.74 7.61 2fp3A1 THR 261 H 0.05 0.23 -0.24 -0.55 8.28 7.78 2fp3A1 THR 261 HA 0.03 0.03 0.54 -0.75 4.39 4.23 2fp3A1 THR 261 HB 0.11 0.11 0.05 -0.04 4.32 4.54 2fp3A1 THR 261 HG23 0.14 0.08 -0.15 -0.04 1.22 1.25 2fp3A1 GLU 262 H -0.02 0.46 0.19 -0.55 8.60 8.69 2fp3A1 GLU 262 HA 0.04 0.13 0.75 -0.75 4.29 4.45 2fp3A1 GLU 262 HB2 0.01 0.18 0.28 -0.04 2.09 2.52 2fp3A1 GLU 262 HB3 0.05 0.18 0.27 -0.04 1.99 2.45 2fp3A1 GLU 262 HG2 0.04 -0.03 0.04 -0.04 2.34 2.36 2fp3A1 GLU 262 HG3 0.02 0.11 0.04 -0.04 2.34 2.48 2fp3A1 CYS 263 H -0.03 0.04 0.01 -0.55 8.50 7.97 2fp3A1 CYS 263 HA 0.07 0.23 0.80 -0.75 4.58 4.93 2fp3A1 CYS 263 HB2 0.09 0.10 -0.14 -0.04 2.97 2.98 2fp3A1 CYS 263 HB3 0.07 0.08 0.13 -0.04 2.97 3.22 2fp3A1 PHE 264 H 0.23 0.75 0.33 -0.55 8.34 9.10 2fp3A1 PHE 264 HA 0.12 0.23 1.23 -0.75 4.62 5.45 2fp3A1 PHE 264 HB2 0.12 0.07 -0.07 -0.04 3.15 3.22 2fp3A1 PHE 264 HB3 0.10 0.02 0.16 -0.04 3.06 3.30 2fp3A1 PHE 264 HD2 0.08 -0.03 -0.15 -0.04 7.28 7.14 2fp3A1 PHE 264 HE2 0.14 -0.07 -0.18 -0.04 7.38 7.24 2fp3A1 PHE 264 HZ 0.21 -0.08 -0.11 -0.04 7.32 7.30 2fp3A1 VAL 265 H -0.49 0.75 0.38 -0.55 8.24 8.34 2fp3A1 VAL 265 HA -0.19 0.25 1.15 -0.75 4.13 4.59 2fp3A1 VAL 265 HB -0.29 -0.02 0.06 -0.04 2.12 1.83 2fp3A1 VAL 265 HG13 -0.24 -0.02 -0.18 -0.04 0.97 0.49 2fp3A1 VAL 265 HG23 0.24 -0.01 -0.21 -0.04 0.95 0.93 2fp3A1 MET 266 H -0.25 0.66 0.43 -0.55 8.47 8.76 2fp3A1 MET 266 HA -0.24 0.23 1.16 -0.75 4.52 4.91 2fp3A1 MET 266 HB2 0.27 0.03 0.01 -0.04 2.15 2.41 2fp3A1 MET 266 HB3 0.02 -0.06 0.16 -0.04 2.03 2.11 2fp3A1 MET 266 HG2 -0.02 -0.05 -0.28 -0.04 2.63 2.25 2fp3A1 MET 266 HG3 0.14 0.07 0.02 -0.04 2.56 2.75 2fp3A1 MET 266 HE3 0.11 -0.02 -0.11 -0.04 2.10 2.04 2fp3A1 VAL 267 H -0.12 0.72 0.34 -0.55 8.24 8.63 2fp3A1 VAL 267 HA -0.22 0.25 1.09 -0.75 4.13 4.49 2fp3A1 VAL 267 HB -0.09 -0.06 0.13 -0.04 2.12 2.06 2fp3A1 VAL 267 HG13 -0.03 -0.02 -0.17 -0.04 0.97 0.70 2fp3A1 VAL 267 HG23 -0.17 0.00 -0.22 -0.04 0.95 0.53 2fp3A1 LEU 268 H -0.26 0.71 0.29 -0.55 8.37 8.56 2fp3A1 LEU 268 HA 0.02 0.20 1.04 -0.75 4.35 4.85 2fp3A1 LEU 268 HB2 0.02 -0.01 -0.01 -0.04 1.64 1.60 2fp3A1 LEU 268 HB3 -0.08 0.01 0.15 -0.04 1.64 1.69 2fp3A1 LEU 268 HG -0.01 -0.04 -0.28 -0.04 1.64 1.27 2fp3A1 LEU 268 HD13 -0.12 0.04 -0.02 -0.04 0.93 0.79 2fp3A1 LEU 268 HD23 -0.10 -0.01 -0.09 -0.04 0.89 0.64 2fp3A1 MET 269 H 0.05 0.84 0.37 -0.55 8.47 9.18 2fp3A1 MET 269 HA 0.31 0.09 1.01 -0.75 4.52 5.17 2fp3A1 MET 269 HB2 0.09 -0.03 0.22 -0.04 2.15 2.38 2fp3A1 MET 269 HB3 0.21 -0.02 0.02 -0.04 2.03 2.20 2fp3A1 MET 269 HG2 0.32 -0.01 -0.14 -0.04 2.63 2.76 2fp3A1 MET 269 HG3 0.11 -0.01 -0.47 -0.04 2.56 2.15 2fp3A1 MET 269 HE3 0.06 0.02 -0.19 -0.04 2.10 1.95 2fp3A1 THR 270 H 0.11 0.29 0.17 -0.55 8.28 8.30 2fp3A1 THR 270 HA -0.19 0.19 0.58 -0.75 4.39 4.22 2fp3A1 THR 270 HB -0.12 -0.00 -0.07 -0.04 4.32 4.08 2fp3A1 THR 270 HG23 -0.15 0.03 -0.15 -0.04 1.22 0.92 2fp3A1 HIS 271 H -0.08 0.13 0.17 -0.55 8.41 8.08 2fp3A1 HIS 271 HA -0.06 0.18 0.85 -0.75 4.63 4.84 2fp3A1 HIS 271 HB2 -0.29 -0.07 0.09 -0.04 3.26 2.96 2fp3A1 HIS 271 HB3 -0.17 0.05 0.02 -0.04 3.20 3.07 2fp3A1 HIS 271 HD2 -1.74 -0.05 -0.06 -0.04 6.97 5.07 2fp3A1 HIS 271 HE1 -0.14 0.00 -0.03 -0.04 7.75 7.53 2fp3A1 GLY 272 H 0.09 0.23 0.20 -0.55 8.43 8.39 2fp3A1 GLY 272 HA2 -0.02 0.17 1.13 -0.51 4.01 4.79 2fp3A1 GLY 272 HA3 0.01 0.04 0.40 -0.51 4.01 3.96 2fp3A1 ASN 273 H -0.03 0.41 0.24 -0.55 8.53 8.60 2fp3A1 ASN 273 HA -0.03 0.22 0.93 -0.75 4.76 5.12 2fp3A1 ASN 273 HB2 -0.02 0.03 -0.15 -0.04 2.88 2.70 2fp3A1 ASN 273 HB3 -0.02 -0.09 -0.01 -0.04 2.79 2.63 2fp3A1 ASN 273 HD21 -0.03 0.03 -0.01 -0.04 7.03 6.99 2fp3A1 ASN 273 HD22 -0.04 0.11 0.10 -0.04 7.74 7.87 2fp3A1 SER 274 H -0.04 0.18 0.07 -0.55 8.46 8.13 2fp3A1 SER 274 HA -0.04 0.26 1.06 -0.75 4.49 5.01 2fp3A1 SER 274 HB2 -0.05 -0.03 0.19 -0.04 3.95 4.02 2fp3A1 SER 274 HB3 -0.05 0.13 0.12 -0.04 3.93 4.09 2fp3A1 VAL 275 H -0.02 0.03 -0.26 -0.55 8.24 7.43 2fp3A1 VAL 275 HA -0.02 0.00 0.41 -0.75 4.13 3.78 2fp3A1 VAL 275 HB -0.00 -0.04 -0.01 -0.04 2.12 2.03 2fp3A1 VAL 275 HG13 -0.00 -0.00 -0.16 -0.04 0.97 0.76 2fp3A1 VAL 275 HG23 -0.01 -0.01 -0.06 -0.04 0.95 0.84 2fp3A1 GLU 276 H -0.02 0.10 0.24 -0.55 8.60 8.38 2fp3A1 GLU 276 HA -0.01 0.04 0.37 -0.75 4.29 3.93 2fp3A1 GLU 276 HB2 -0.01 0.12 0.12 -0.04 2.09 2.28 2fp3A1 GLU 276 HB3 -0.01 -0.05 0.23 -0.04 1.99 2.12 2fp3A1 GLU 276 HG2 -0.01 -0.09 -0.21 -0.04 2.34 1.99 2fp3A1 GLU 276 HG3 -0.00 0.02 -0.07 -0.04 2.34 2.25 2fp3A1 GLY 277 H -0.01 0.08 0.19 -0.55 8.43 8.14 2fp3A1 GLY 277 HA2 -0.02 0.18 0.64 -0.51 4.01 4.30 2fp3A1 GLY 277 HA3 -0.02 -0.02 0.35 -0.51 4.01 3.81 2fp3A1 LYS 278 H -0.02 0.35 -0.20 -0.55 8.42 8.00 2fp3A1 LYS 278 HA -0.02 0.13 0.81 -0.75 4.32 4.49 2fp3A1 LYS 278 HB2 -0.01 0.17 0.04 -0.04 1.87 2.03 2fp3A1 LYS 278 HB3 -0.00 -0.09 -0.00 -0.04 1.79 1.65 2fp3A1 LYS 278 HG2 -0.00 0.03 -0.03 -0.04 1.46 1.42 2fp3A1 LYS 278 HG3 -0.00 -0.05 -0.06 -0.04 1.46 1.30 2fp3A1 LYS 278 HD2 0.01 0.00 -0.03 -0.04 1.69 1.62 2fp3A1 LYS 278 HD3 0.01 -0.07 0.00 -0.04 1.68 1.58 2fp3A1 LYS 278 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 2fp3A1 LYS 278 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 2fp3A1 GLU 279 H -0.02 0.10 0.21 -0.55 8.60 8.33 2fp3A1 GLU 279 HA -0.05 0.29 1.01 -0.75 4.29 4.79 2fp3A1 GLU 279 HB2 -0.08 0.09 -0.04 -0.04 2.09 2.01 2fp3A1 GLU 279 HB3 -0.07 -0.14 0.16 -0.04 1.99 1.91 2fp3A1 GLU 279 HG2 -0.10 -0.04 -0.09 -0.04 2.34 2.07 2fp3A1 GLU 279 HG3 -0.08 0.09 0.06 -0.04 2.34 2.37 2fp3A1 LYS 280 H -0.03 0.84 0.43 -0.55 8.42 9.11 2fp3A1 LYS 280 HA 0.00 0.30 1.22 -0.75 4.32 5.09 2fp3A1 LYS 280 HB2 -0.01 -0.05 0.02 -0.04 1.87 1.80 2fp3A1 LYS 280 HB3 0.02 -0.08 0.07 -0.04 1.79 1.76 2fp3A1 LYS 280 HG2 0.02 -0.01 -0.33 -0.04 1.46 1.11 2fp3A1 LYS 280 HG3 -0.00 -0.03 -0.41 -0.04 1.46 0.98 2fp3A1 LYS 280 HD2 0.01 -0.03 -0.12 -0.04 1.69 1.51 2fp3A1 LYS 280 HD3 0.03 -0.01 -0.16 -0.04 1.68 1.50 2fp3A1 LYS 280 HE2 0.02 -0.01 -0.15 -0.04 2.99 2.81 2fp3A1 LYS 280 HE3 0.01 0.03 -0.14 -0.04 2.99 2.85 2fp3A1 VAL 281 H 0.00 0.23 0.39 -0.55 8.24 8.32 2fp3A1 VAL 281 HA -0.10 0.26 1.10 -0.75 4.13 4.63 2fp3A1 VAL 281 HB -0.16 -0.08 0.05 -0.04 2.12 1.89 2fp3A1 VAL 281 HG13 -0.45 0.04 -0.12 -0.04 0.97 0.41 2fp3A1 VAL 281 HG23 -0.09 -0.00 -0.20 -0.04 0.95 0.62 2fp3A1 GLU 282 H -0.13 0.62 0.32 -0.55 8.60 8.86 2fp3A1 GLU 282 HA -0.02 0.36 0.86 -0.75 4.29 4.74 2fp3A1 GLU 282 HB2 0.02 -0.02 0.15 -0.04 2.09 2.21 2fp3A1 GLU 282 HB3 0.20 0.04 -0.00 -0.04 1.99 2.19 2fp3A1 GLU 282 HG2 0.05 0.14 -0.07 -0.04 2.34 2.42 2fp3A1 GLU 282 HG3 -0.01 -0.07 -0.13 -0.04 2.34 2.09 2fp3A1 PHE 283 H 0.21 0.32 0.15 -0.55 8.34 8.47 2fp3A1 PHE 283 HA 0.01 0.25 0.87 -0.75 4.62 5.00 2fp3A1 PHE 283 HB2 0.05 -0.18 0.06 -0.04 3.15 3.03 2fp3A1 PHE 283 HB3 0.01 0.15 0.36 -0.04 3.06 3.54 2fp3A1 PHE 283 HD2 -0.02 0.06 -0.20 -0.04 7.28 7.08 2fp3A1 PHE 283 HE2 -0.52 0.01 -0.18 -0.04 7.38 6.65 2fp3A1 PHE 283 HZ -0.55 0.02 -0.16 -0.04 7.32 6.60 2fp3A1 ARG 284 H 0.14 0.53 0.26 -0.55 8.46 8.83 2fp3A1 ARG 284 HA -0.24 0.39 0.53 -0.75 4.34 4.26 2fp3A1 ARG 284 HB2 -0.04 -0.09 0.09 -0.04 1.90 1.81 2fp3A1 ARG 284 HB3 0.03 -0.15 -0.17 -0.04 1.80 1.47 2fp3A1 ARG 284 HG2 -0.03 0.07 -0.26 -0.04 1.67 1.40 2fp3A1 ARG 284 HG3 -0.05 -0.00 -0.06 -0.04 1.67 1.52 2fp3A1 ARG 284 HD2 0.01 -0.06 -0.20 -0.04 3.22 2.94 2fp3A1 ARG 284 HD3 0.02 -0.04 -0.21 -0.04 3.22 2.95 2fp3A1 ASP 285 H 0.10 -0.04 -0.11 -0.55 8.40 7.81 2fp3A1 ASP 285 HA 0.05 0.20 0.45 -0.75 4.63 4.59 2fp3A1 ASP 285 HB2 0.06 0.11 0.19 -0.04 2.71 3.03 2fp3A1 ASP 285 HB3 0.05 0.02 0.11 -0.04 2.70 2.83 2fp3A1 GLY 286 H 0.16 0.51 -0.74 -0.55 8.43 7.82 2fp3A1 GLY 286 HA2 0.21 0.06 0.38 -0.51 4.01 4.15 2fp3A1 GLY 286 HA3 0.12 0.10 0.52 -0.51 4.01 4.24 2fp3A1 SER 287 H 0.15 -0.14 -0.64 -0.55 8.46 7.29 2fp3A1 SER 287 HA 0.11 0.14 0.41 -0.75 4.49 4.39 2fp3A1 SER 287 HB2 0.13 0.09 0.12 -0.04 3.95 4.24 2fp3A1 SER 287 HB3 0.10 0.07 0.07 -0.04 3.93 4.12 2fp3A1 VAL 288 H 0.13 0.18 0.22 -0.55 8.24 8.22 2fp3A1 VAL 288 HA 0.17 0.50 1.03 -0.75 4.13 5.08 2fp3A1 VAL 288 HB 0.06 -0.09 0.01 -0.04 2.12 2.05 2fp3A1 VAL 288 HG13 0.05 0.03 -0.26 -0.04 0.97 0.75 2fp3A1 VAL 288 HG23 0.06 -0.01 -0.07 -0.04 0.95 0.89 2fp3A1 VAL 289 H 0.13 0.21 0.34 -0.55 8.24 8.37 2fp3A1 VAL 289 HA 0.15 0.16 0.79 -0.75 4.13 4.47 2fp3A1 VAL 289 HB 0.39 0.00 -0.07 -0.04 2.12 2.39 2fp3A1 VAL 289 HG13 0.35 0.05 0.01 -0.04 0.97 1.34 2fp3A1 VAL 289 HG23 0.50 0.02 -0.29 -0.04 0.95 1.14 2fp3A1 ASP 290 H 0.10 0.17 0.17 -0.55 8.40 8.30 2fp3A1 ASP 290 HA 0.04 0.30 0.70 -0.75 4.63 4.92 2fp3A1 ASP 290 HB2 0.07 0.01 0.23 -0.04 2.71 2.98 2fp3A1 ASP 290 HB3 0.05 -0.11 0.11 -0.04 2.70 2.71 2fp3A1 MET 291 H -0.00 0.70 0.36 -0.55 8.47 8.98 2fp3A1 MET 291 HA 0.02 0.04 0.31 -0.75 4.52 4.14 2fp3A1 MET 291 HB2 -0.14 0.06 -0.02 -0.04 2.15 2.01 2fp3A1 MET 291 HB3 -0.10 0.01 0.01 -0.04 2.03 1.91 2fp3A1 MET 291 HG2 -0.32 0.00 -0.09 -0.04 2.63 2.17 2fp3A1 MET 291 HG3 -0.40 -0.02 0.02 -0.04 2.56 2.12 2fp3A1 MET 291 HE3 -0.09 0.00 -0.08 -0.04 2.10 1.89 2fp3A1 GLN 292 H 0.04 0.06 -0.38 -0.55 8.47 7.65 2fp3A1 GLN 292 HA 0.08 0.09 0.36 -0.75 4.36 4.13 2fp3A1 GLN 292 HB2 0.04 -0.08 0.08 -0.04 2.15 2.15 2fp3A1 GLN 292 HB3 0.06 0.07 -0.10 -0.04 2.02 2.01 2fp3A1 GLN 292 HG2 0.03 -0.01 0.06 -0.04 2.40 2.44 2fp3A1 GLN 292 HG3 0.03 0.03 -0.01 -0.04 2.39 2.41 2fp3A1 GLN 292 HE21 0.05 0.08 0.02 -0.04 6.97 7.09 2fp3A1 GLN 292 HE22 0.04 -0.01 -0.00 -0.04 7.69 7.68 2fp3A1 LYS 293 H 0.12 0.23 -0.23 -0.55 8.42 7.99 2fp3A1 LYS 293 HA 0.13 0.05 0.32 -0.75 4.32 4.06 2fp3A1 LYS 293 HB2 0.11 -0.11 0.15 -0.04 1.87 1.98 2fp3A1 LYS 293 HB3 0.31 0.06 0.11 -0.04 1.79 2.23 2fp3A1 LYS 293 HG2 -0.07 -0.04 -0.05 -0.04 1.46 1.25 2fp3A1 LYS 293 HG3 0.15 0.05 -0.19 -0.04 1.46 1.43 2fp3A1 LYS 293 HD2 -0.04 -0.05 0.02 -0.04 1.69 1.58 2fp3A1 LYS 293 HD3 -0.19 0.03 -0.02 -0.04 1.68 1.45 2fp3A1 LYS 293 HE2 0.03 0.04 -0.01 -0.04 2.99 3.01 2fp3A1 LYS 293 HE3 0.05 -0.05 0.02 -0.04 2.99 2.97 2fp3A1 ILE 294 H 0.31 0.18 -0.22 -0.55 8.25 7.98 2fp3A1 ILE 294 HA 0.47 0.02 0.28 -0.75 4.18 4.19 2fp3A1 ILE 294 HB 0.27 0.13 0.10 -0.04 1.89 2.35 2fp3A1 ILE 294 HG12 0.31 -0.02 -0.06 -0.04 1.49 1.68 2fp3A1 ILE 294 HG13 0.34 -0.01 -0.04 -0.04 1.21 1.45 2fp3A1 ILE 294 HG23 0.54 0.00 -0.16 -0.04 0.93 1.28 2fp3A1 ILE 294 HD13 0.11 -0.01 -0.09 -0.04 0.88 0.85 2fp3A1 LYS 295 H 0.24 0.53 -0.11 -0.55 8.42 8.52 2fp3A1 LYS 295 HA 0.42 0.02 0.34 -0.75 4.32 4.35 2fp3A1 LYS 295 HB2 0.16 0.06 0.12 -0.04 1.87 2.17 2fp3A1 LYS 295 HB3 0.18 -0.03 -0.04 -0.04 1.79 1.87 2fp3A1 LYS 295 HG2 0.19 -0.02 -0.03 -0.04 1.46 1.57 2fp3A1 LYS 295 HG3 0.12 0.14 -0.00 -0.04 1.46 1.67 2fp3A1 LYS 295 HD2 0.08 -0.04 -0.06 -0.04 1.69 1.63 2fp3A1 LYS 295 HD3 0.11 0.00 -0.06 -0.04 1.68 1.69 2fp3A1 LYS 295 HE2 0.07 0.01 -0.08 -0.04 2.99 2.95 2fp3A1 LYS 295 HE3 -0.02 -0.07 -0.16 -0.04 2.99 2.70 2fp3A1 ASP 296 H 0.20 0.69 -0.11 -0.55 8.40 8.64 2fp3A1 ASP 296 HA 0.13 -0.02 0.28 -0.75 4.63 4.27 2fp3A1 ASP 296 HB2 0.13 0.17 0.13 -0.04 2.71 3.10 2fp3A1 ASP 296 HB3 0.07 -0.07 -0.00 -0.04 2.70 2.66 2fp3A1 HIS 297 H 0.29 0.42 -0.55 -0.55 8.41 8.02 2fp3A1 HIS 297 HA -0.05 -0.03 0.34 -0.75 4.63 4.14 2fp3A1 HIS 297 HB2 0.07 -0.08 0.06 -0.04 3.26 3.28 2fp3A1 HIS 297 HB3 -0.22 0.19 0.05 -0.04 3.20 3.18 2fp3A1 HIS 297 HD2 -1.50 0.03 -0.29 -0.04 6.97 5.15 2fp3A1 HIS 297 HE1 -0.18 -0.02 -0.07 -0.04 7.75 7.44 2fp3A1 PHE 298 H 0.31 0.64 -0.36 -0.55 8.34 8.37 2fp3A1 PHE 298 HA -0.10 0.17 0.59 -0.75 4.62 4.53 2fp3A1 PHE 298 HB2 0.08 0.08 0.06 -0.04 3.15 3.33 2fp3A1 PHE 298 HB3 0.03 -0.01 0.11 -0.04 3.06 3.15 2fp3A1 PHE 298 HD2 0.04 0.13 0.01 -0.04 7.28 7.43 2fp3A1 PHE 298 HE2 -0.25 -0.02 -0.11 -0.04 7.38 6.96 2fp3A1 PHE 298 HZ 0.21 -0.07 -0.10 -0.04 7.32 7.31 2fp3A1 GLN 299 H -0.00 0.47 -0.41 -0.55 8.47 7.98 2fp3A1 GLN 299 HA 0.06 0.07 0.40 -0.75 4.36 4.14 2fp3A1 GLN 299 HB2 0.01 -0.11 -0.00 -0.04 2.15 2.01 2fp3A1 GLN 299 HB3 0.04 0.07 0.01 -0.04 2.02 2.09 2fp3A1 GLN 299 HG2 -0.04 0.55 0.12 -0.04 2.40 2.98 2fp3A1 GLN 299 HG3 -0.07 -0.42 -0.04 -0.04 2.39 1.83 2fp3A1 GLN 299 HE21 -0.01 0.01 -0.02 -0.04 6.97 6.91 2fp3A1 GLN 299 HE22 -0.02 -0.12 -0.03 -0.04 7.69 7.48 2fp3A1 THR 300 H 0.02 0.16 0.12 -0.55 8.28 8.04 2fp3A1 THR 300 HA -0.00 0.17 0.14 -0.75 4.39 3.95 2fp3A1 THR 300 HB 0.01 0.05 0.01 -0.04 4.32 4.35 2fp3A1 THR 300 HG23 0.03 0.01 0.09 -0.04 1.22 1.32 2fp3A1 ALA 301 H -0.03 -0.01 -0.39 -0.55 8.40 7.43 2fp3A1 ALA 301 HA -0.04 0.06 0.35 -0.75 4.34 3.95 2fp3A1 ALA 301 HB3 -0.04 -0.02 0.01 -0.04 1.41 1.32 2fp3A1 LYS 302 H -0.12 0.15 -0.18 -0.55 8.42 7.71 2fp3A1 LYS 302 HA -0.18 0.04 0.58 -0.75 4.32 4.01 2fp3A1 LYS 302 HB2 -0.34 0.25 0.09 -0.04 1.87 1.84 2fp3A1 LYS 302 HB3 -0.45 -0.04 0.09 -0.04 1.79 1.35 2fp3A1 LYS 302 HG2 -0.13 -0.04 -0.02 -0.04 1.46 1.23 2fp3A1 LYS 302 HG3 -0.11 -0.12 -0.02 -0.04 1.46 1.16 2fp3A1 LYS 302 HD2 -0.14 0.16 0.01 -0.04 1.69 1.68 2fp3A1 LYS 302 HD3 -0.13 -0.04 0.01 -0.04 1.68 1.48 2fp3A1 LYS 302 HE2 -0.04 -0.04 -0.04 -0.04 2.99 2.82 2fp3A1 LYS 302 HE3 -0.04 -0.03 -0.05 -0.04 2.99 2.83 2fp3A1 CYS 303 H -0.16 0.42 -0.33 -0.55 8.50 7.88 2fp3A1 CYS 303 HA -0.24 0.24 0.95 -0.75 4.58 4.77 2fp3A1 CYS 303 HB2 -0.10 0.06 -0.09 -0.04 2.97 2.79 2fp3A1 CYS 303 HB3 -0.08 -0.11 0.05 -0.04 2.97 2.79 2fp3A1 PRO 304 HA -0.01 0.04 0.38 -0.51 4.44 4.34 2fp3A1 PRO 304 HB2 -0.13 0.01 0.02 -0.04 2.28 2.14 2fp3A1 PRO 304 HB3 -0.02 -0.04 0.08 -0.04 2.02 2.00 2fp3A1 PRO 304 HG2 -0.21 -0.03 0.04 -0.04 2.03 1.79 2fp3A1 PRO 304 HG3 -0.11 0.14 0.04 -0.04 2.03 2.07 2fp3A1 PRO 304 HD2 -0.38 0.08 0.03 -0.04 3.68 3.37 2fp3A1 PRO 304 HD3 -0.21 0.22 -0.90 -0.04 3.65 2.72 2fp3A1 TYR 305 H -0.14 0.15 -0.30 -0.55 8.29 7.45 2fp3A1 TYR 305 HA 0.00 0.08 0.40 -0.75 4.56 4.29 2fp3A1 TYR 305 HB2 -0.02 0.09 -0.09 -0.04 3.06 3.00 2fp3A1 TYR 305 HB3 0.02 0.12 -0.15 -0.04 2.98 2.93 2fp3A1 TYR 305 HD2 -0.00 0.04 -0.17 -0.04 7.15 6.98 2fp3A1 TYR 305 HE2 -0.01 0.06 -0.15 -0.04 6.85 6.71 2fp3A1 LEU 306 H 0.06 0.55 -0.41 -0.55 8.37 8.02 2fp3A1 LEU 306 HA 0.09 0.29 0.87 -0.75 4.35 4.85 2fp3A1 LEU 306 HB2 0.06 0.05 -0.01 -0.04 1.64 1.70 2fp3A1 LEU 306 HB3 0.09 -0.03 0.05 -0.04 1.64 1.71 2fp3A1 LEU 306 HG 0.03 -0.03 -0.30 -0.04 1.64 1.29 2fp3A1 LEU 306 HD13 -0.17 -0.03 -0.08 -0.04 0.93 0.61 2fp3A1 LEU 306 HD23 0.14 0.05 -0.15 -0.04 0.89 0.88 2fp3A1 VAL 307 H 0.07 0.36 -0.11 -0.55 8.24 8.01 2fp3A1 VAL 307 HA 0.06 -0.08 0.44 -0.75 4.13 3.79 2fp3A1 VAL 307 HB 0.05 0.12 0.15 -0.04 2.12 2.41 2fp3A1 VAL 307 HG13 0.04 -0.04 -0.07 -0.04 0.97 0.86 2fp3A1 VAL 307 HG23 0.03 -0.01 0.08 -0.04 0.95 1.01 2fp3A1 ASN 308 H 0.07 0.05 0.20 -0.55 8.53 8.29 2fp3A1 ASN 308 HA 0.10 -0.10 0.34 -0.75 4.76 4.34 2fp3A1 ASN 308 HB2 0.06 0.31 -0.04 -0.04 2.88 3.17 2fp3A1 ASN 308 HB3 0.08 -0.07 0.23 -0.04 2.79 2.99 2fp3A1 ASN 308 HD21 0.04 -0.05 0.02 -0.04 7.03 7.01 2fp3A1 ASN 308 HD22 0.07 -0.00 0.07 -0.04 7.74 7.84 2fp3A1 LYS 309 H 0.05 0.52 -0.23 -0.55 8.42 8.21 2fp3A1 LYS 309 HA 0.01 0.16 0.96 -0.75 4.32 4.69 2fp3A1 LYS 309 HB2 0.06 0.03 -0.03 -0.04 1.87 1.89 2fp3A1 LYS 309 HB3 0.04 0.02 -0.07 -0.04 1.79 1.74 2fp3A1 LYS 309 HG2 0.05 -0.03 -0.01 -0.04 1.46 1.43 2fp3A1 LYS 309 HG3 0.06 0.04 -0.33 -0.04 1.46 1.19 2fp3A1 LYS 309 HD2 0.09 0.05 0.10 -0.04 1.69 1.88 2fp3A1 LYS 309 HD3 0.07 -0.01 -0.12 -0.04 1.68 1.58 2fp3A1 LYS 309 HE2 0.04 -0.16 0.01 -0.04 2.99 2.84 2fp3A1 LYS 309 HE3 0.05 -0.11 0.01 -0.04 2.99 2.90 2fp3A1 PRO 310 HA -0.51 0.02 0.55 -0.51 4.44 4.00 2fp3A1 PRO 310 HB2 -0.11 -0.04 0.14 -0.04 2.28 2.24 2fp3A1 PRO 310 HB3 -0.55 -0.10 0.07 -0.04 2.02 1.40 2fp3A1 PRO 310 HG2 -0.18 0.13 0.15 -0.04 2.03 2.09 2fp3A1 PRO 310 HG3 -1.37 -0.11 0.12 -0.04 2.03 0.63 2fp3A1 PRO 310 HD2 -0.08 0.43 0.44 -0.04 3.68 4.42 2fp3A1 PRO 310 HD3 -0.13 0.12 0.36 -0.04 3.65 3.96 2fp3A1 LYS 311 H 0.13 0.57 0.48 -0.55 8.42 9.06 2fp3A1 LYS 311 HA 0.19 0.29 1.13 -0.75 4.32 5.18 2fp3A1 LYS 311 HB2 0.06 -0.00 0.28 -0.04 1.87 2.17 2fp3A1 LYS 311 HB3 -0.01 -0.11 0.05 -0.04 1.79 1.68 2fp3A1 LYS 311 HG2 0.17 -0.03 -0.07 -0.04 1.46 1.49 2fp3A1 LYS 311 HG3 0.09 0.30 -0.16 -0.04 1.46 1.65 2fp3A1 LYS 311 HD2 0.16 -0.13 -0.01 -0.04 1.69 1.68 2fp3A1 LYS 311 HD3 0.15 -0.00 -0.03 -0.04 1.68 1.76 2fp3A1 LYS 311 HE2 0.09 -0.07 0.02 -0.04 2.99 2.99 2fp3A1 LYS 311 HE3 0.15 -0.00 0.04 -0.04 2.99 3.13 2fp3A1 VAL 312 H 0.08 0.83 0.41 -0.55 8.24 9.01 2fp3A1 VAL 312 HA -0.11 0.13 1.12 -0.75 4.13 4.52 2fp3A1 VAL 312 HB -0.00 -0.02 0.23 -0.04 2.12 2.29 2fp3A1 VAL 312 HG13 -0.12 -0.03 -0.15 -0.04 0.97 0.63 2fp3A1 VAL 312 HG23 0.07 0.01 -0.17 -0.04 0.95 0.82 2fp3A1 LEU 313 H -0.14 0.82 0.39 -0.55 8.37 8.89 2fp3A1 LEU 313 HA -0.25 0.13 0.97 -0.75 4.35 4.44 2fp3A1 LEU 313 HB2 -0.01 -0.07 0.24 -0.04 1.64 1.76 2fp3A1 LEU 313 HB3 -0.14 -0.03 0.03 -0.04 1.64 1.46 2fp3A1 LEU 313 HG -0.24 0.05 -0.10 -0.04 1.64 1.31 2fp3A1 LEU 313 HD13 -0.18 -0.00 -0.05 -0.04 0.93 0.65 2fp3A1 LEU 313 HD23 -0.71 0.02 -0.16 -0.04 0.89 -0.00 2fp3A1 MET 314 H -0.42 0.81 0.40 -0.55 8.47 8.71 2fp3A1 MET 314 HA -0.30 0.15 1.19 -0.75 4.52 4.82 2fp3A1 MET 314 HB2 -0.24 0.01 0.22 -0.04 2.15 2.10 2fp3A1 MET 314 HB3 -0.20 -0.04 -0.04 -0.04 2.03 1.70 2fp3A1 MET 314 HG2 -0.25 -0.04 -0.21 -0.04 2.63 2.09 2fp3A1 MET 314 HG3 -0.23 0.09 -0.27 -0.04 2.56 2.11 2fp3A1 MET 314 HE3 -0.54 -0.01 -0.13 -0.04 2.10 1.38 2fp3A1 PHE 315 H -0.03 0.72 0.19 -0.55 8.34 8.67 2fp3A1 PHE 315 HA -0.01 0.38 0.96 -0.75 4.62 5.21 2fp3A1 PHE 315 HB2 0.07 -0.02 0.18 -0.04 3.15 3.34 2fp3A1 PHE 315 HB3 0.04 0.00 0.05 -0.04 3.06 3.11 2fp3A1 PHE 315 HD2 -0.08 0.08 -0.06 -0.04 7.28 7.18 2fp3A1 PHE 315 HE2 0.01 0.00 -0.12 -0.04 7.38 7.23 2fp3A1 PHE 315 HZ 0.10 0.02 -0.14 -0.04 7.32 7.26 2fp3A1 PRO 316 HA -0.45 -0.00 0.33 -0.51 4.44 3.81 2fp3A1 PRO 316 HB2 -0.55 -0.03 0.03 -0.04 2.28 1.69 2fp3A1 PRO 316 HB3 -0.05 0.04 0.01 -0.04 2.02 1.98 2fp3A1 PRO 316 HG2 0.05 0.00 -0.04 -0.04 2.03 2.00 2fp3A1 PRO 316 HG3 0.01 0.04 -0.10 -0.04 2.03 1.93 2fp3A1 PRO 316 HD2 -0.02 0.45 0.02 -0.04 3.68 4.09 2fp3A1 PRO 316 HD3 -0.10 0.06 -0.29 -0.04 3.65 3.28 2fp3A1 PHE 317 H 0.14 0.16 -0.69 -0.55 8.34 7.40 2fp3A1 PHE 317 HA 0.03 0.16 1.00 -0.75 4.62 5.06 2fp3A1 PHE 317 HB2 0.02 -0.02 0.31 -0.04 3.15 3.42 2fp3A1 PHE 317 HB3 0.05 0.03 0.26 -0.04 3.06 3.37 2fp3A1 PHE 317 HD2 0.05 0.02 0.07 -0.04 7.28 7.39 2fp3A1 PHE 317 HE2 0.07 -0.06 -0.06 -0.04 7.38 7.29 2fp3A1 PHE 317 HZ 0.08 -0.01 -0.15 -0.04 7.32 7.20 2fp3A1 ALA 318 H 0.03 0.15 -0.09 -0.55 8.40 7.95 2fp3A1 ALA 318 HA 0.04 0.22 0.74 -0.75 4.34 4.59 2fp3A1 ALA 318 HB3 0.02 0.02 -0.01 -0.04 1.41 1.40 2fp3A1 SER 358 HA 0.01 -0.00 0.14 -0.75 4.49 3.88 2fp3A1 SER 358 HB2 0.00 -0.01 0.06 -0.04 3.95 3.96 2fp3A1 SER 358 HB3 0.00 -0.01 -0.01 -0.04 3.93 3.87 2fp3A1 THR 359 H 0.01 0.15 0.10 -0.55 8.28 7.98 2fp3A1 THR 359 HA 0.01 0.18 0.67 -0.75 4.39 4.48 2fp3A1 THR 359 HB 0.00 -0.04 0.17 -0.04 4.32 4.41 2fp3A1 THR 359 HG23 0.00 -0.00 -0.22 -0.04 1.22 0.96 2fp3A1 ASN 360 H 0.01 0.13 0.05 -0.55 8.53 8.17 2fp3A1 ASN 360 HA 0.01 0.08 0.79 -0.75 4.76 4.88 2fp3A1 ASN 360 HB2 0.01 -0.01 0.13 -0.04 2.88 2.98 2fp3A1 ASN 360 HB3 0.02 0.10 -0.01 -0.04 2.79 2.86 2fp3A1 ASN 360 HD21 0.01 -0.01 -0.00 -0.04 7.03 6.99 2fp3A1 ASN 360 HD22 0.01 0.02 0.01 -0.04 7.74 7.74 2fp3A1 VAL 361 H 0.01 0.09 0.16 -0.55 8.24 7.95 2fp3A1 VAL 361 HA 0.01 0.05 0.32 -0.75 4.13 3.76 2fp3A1 VAL 361 HB 0.02 -0.04 0.10 -0.04 2.12 2.16 2fp3A1 VAL 361 HG13 0.02 0.02 -0.03 -0.04 0.97 0.94 2fp3A1 VAL 361 HG23 0.01 -0.01 0.08 -0.04 0.95 0.99 2fp3A1 PRO 362 HA 0.02 0.03 0.38 -0.51 4.44 4.37 2fp3A1 PRO 362 HB2 0.02 -0.02 0.02 -0.04 2.28 2.26 2fp3A1 PRO 362 HB3 0.02 0.02 0.14 -0.04 2.02 2.16 2fp3A1 PRO 362 HG2 0.01 0.01 0.07 -0.04 2.03 2.08 2fp3A1 PRO 362 HG3 0.01 0.06 0.10 -0.04 2.03 2.16 2fp3A1 PRO 362 HD2 0.01 0.06 0.17 -0.04 3.68 3.88 2fp3A1 PRO 362 HD3 0.01 0.14 0.17 -0.04 3.65 3.93 2fp3A1 SER 363 H 0.04 0.08 0.16 -0.55 8.46 8.20 2fp3A1 SER 363 HA 0.05 0.19 0.84 -0.75 4.49 4.82 2fp3A1 SER 363 HB2 0.04 0.02 0.02 -0.04 3.95 4.00 2fp3A1 SER 363 HB3 0.04 -0.02 0.07 -0.04 3.93 3.98 2fp3A1 LEU 364 H 0.07 0.07 0.11 -0.55 8.37 8.07 2fp3A1 LEU 364 HA 0.09 0.15 0.64 -0.75 4.35 4.48 2fp3A1 LEU 364 HB2 0.09 -0.09 0.01 -0.04 1.64 1.61 2fp3A1 LEU 364 HB3 0.11 0.13 0.02 -0.04 1.64 1.86 2fp3A1 LEU 364 HG 0.11 -0.08 -0.13 -0.04 1.64 1.49 2fp3A1 LEU 364 HD13 0.13 -0.01 -0.11 -0.04 0.93 0.89 2fp3A1 LEU 364 HD23 0.16 0.05 -0.29 -0.04 0.89 0.78 2fp3A1 ALA 365 H 0.10 0.35 0.21 -0.55 8.40 8.51 2fp3A1 ALA 365 HA 0.10 0.17 0.78 -0.75 4.34 4.63 2fp3A1 ALA 365 HB3 0.08 -0.00 0.03 -0.04 1.41 1.48 2fp3A1 ASP 366 H 0.14 0.30 0.09 -0.55 8.40 8.38 2fp3A1 ASP 366 HA 0.19 -0.12 0.30 -0.75 4.63 4.25 2fp3A1 ASP 366 HB2 0.07 0.24 -0.07 -0.04 2.71 2.92 2fp3A1 ASP 366 HB3 -0.05 -0.00 -0.01 -0.04 2.70 2.59 2fp3A1 THR 367 H 0.24 0.27 -0.31 -0.55 8.28 7.94 2fp3A1 THR 367 HA 0.18 0.42 1.31 -0.75 4.39 5.55 2fp3A1 THR 367 HB 0.10 -0.15 -0.07 -0.04 4.32 4.16 2fp3A1 THR 367 HG23 -0.01 -0.02 -0.12 -0.04 1.22 1.03 2fp3A1 LEU 368 H -0.07 0.82 0.50 -0.55 8.37 9.07 2fp3A1 LEU 368 HA -0.09 0.30 1.07 -0.75 4.35 4.87 2fp3A1 LEU 368 HB2 -0.38 0.01 0.17 -0.04 1.64 1.40 2fp3A1 LEU 368 HB3 -0.34 -0.04 -0.04 -0.04 1.64 1.19 2fp3A1 LEU 368 HG -2.03 0.01 -0.19 -0.04 1.64 -0.61 2fp3A1 LEU 368 HD13 -0.86 -0.02 -0.11 -0.04 0.93 -0.09 2fp3A1 LEU 368 HD23 -0.34 0.02 -0.04 -0.04 0.89 0.49 2fp3A1 VAL 369 H -0.03 0.41 0.29 -0.55 8.24 8.36 2fp3A1 VAL 369 HA -0.10 0.38 1.09 -0.75 4.13 4.74 2fp3A1 VAL 369 HB -0.06 -0.12 0.20 -0.04 2.12 2.10 2fp3A1 VAL 369 HG13 -0.21 0.00 -0.11 -0.04 0.97 0.61 2fp3A1 VAL 369 HG23 0.06 0.01 -0.12 -0.04 0.95 0.86 2fp3A1 CYS 370 H -0.24 0.69 0.34 -0.55 8.50 8.75 2fp3A1 CYS 370 HA -0.20 0.21 1.11 -0.75 4.58 4.95 2fp3A1 CYS 370 HB2 -0.20 -0.07 0.04 -0.04 2.97 2.70 2fp3A1 CYS 370 HB3 -0.07 0.06 0.03 -0.04 2.97 2.94 2fp3A1 TYR 371 H -0.07 0.82 0.44 -0.55 8.29 8.93 2fp3A1 TYR 371 HA -0.14 0.25 0.79 -0.75 4.56 4.70 2fp3A1 TYR 371 HB2 -0.08 -0.04 -0.04 -0.04 3.06 2.86 2fp3A1 TYR 371 HB3 -0.09 -0.05 0.03 -0.04 2.98 2.82 2fp3A1 TYR 371 HD2 -0.01 0.02 -0.19 -0.04 7.15 6.93 2fp3A1 TYR 371 HE2 -0.07 -0.02 -0.14 -0.04 6.85 6.58 2fp3A1 ALA 372 H -0.16 0.21 -0.02 -0.55 8.40 7.89 2fp3A1 ALA 372 HA -0.44 0.13 0.71 -0.75 4.34 3.98 2fp3A1 ALA 372 HB3 -0.41 0.03 0.14 -0.04 1.41 1.13 2fp3A1 ASN 373 H -0.03 0.12 -0.42 -0.55 8.53 7.66 2fp3A1 ASN 373 HA -0.06 -0.12 0.30 -0.75 4.76 4.12 2fp3A1 ASN 373 HB2 -0.00 -0.15 0.03 -0.04 2.88 2.72 2fp3A1 ASN 373 HB3 -0.01 0.47 0.20 -0.04 2.79 3.41 2fp3A1 ASN 373 HD21 -0.06 -0.05 -0.06 -0.04 7.03 6.81 2fp3A1 ASN 373 HD22 -0.03 0.13 -0.04 -0.04 7.74 7.76 2fp3A1 THR 374 H -0.04 0.19 0.28 -0.55 8.28 8.16 2fp3A1 THR 374 HA -0.02 0.14 0.57 -0.75 4.39 4.32 2fp3A1 THR 374 HB 0.02 0.04 0.02 -0.04 4.32 4.35 2fp3A1 THR 374 HG23 0.01 -0.09 -0.07 -0.04 1.22 1.03 2fp3A1 PRO 375 HA -0.13 0.09 0.48 -0.51 4.44 4.37 2fp3A1 PRO 375 HB2 -0.11 0.00 0.22 -0.04 2.28 2.35 2fp3A1 PRO 375 HB3 -0.08 0.01 0.12 -0.04 2.02 2.03 2fp3A1 PRO 375 HG2 -0.07 0.00 -0.19 -0.04 2.03 1.73 2fp3A1 PRO 375 HG3 -0.05 0.02 0.02 -0.04 2.03 1.98 2fp3A1 PRO 375 HD2 -0.03 0.11 -0.13 -0.04 3.68 3.59 2fp3A1 PRO 375 HD3 -0.04 0.17 0.14 -0.04 3.65 3.89 2fp3A1 GLY 376 H -0.06 0.57 -0.90 -0.55 8.43 7.49 2fp3A1 GLY 376 HA2 -0.14 0.13 0.73 -0.51 4.01 4.22 2fp3A1 GLY 376 HA3 0.00 0.09 0.29 -0.51 4.01 3.87 2fp3A1 TYR 377 H 0.54 -0.01 0.23 -0.55 8.29 8.49 2fp3A1 TYR 377 HA 0.10 0.05 0.94 -0.75 4.56 4.89 2fp3A1 TYR 377 HB2 0.06 0.00 0.06 -0.04 3.06 3.14 2fp3A1 TYR 377 HB3 0.07 0.09 0.05 -0.04 2.98 3.15 2fp3A1 TYR 377 HD2 -0.01 -0.10 0.11 -0.04 7.15 7.11 2fp3A1 TYR 377 HE2 -0.03 0.01 0.02 -0.04 6.85 6.81 2fp3A1 VAL 378 H 0.33 -0.02 0.23 -0.55 8.24 8.23 2fp3A1 VAL 378 HA 0.04 0.34 0.94 -0.75 4.13 4.70 2fp3A1 VAL 378 HB 0.04 -0.03 0.18 -0.04 2.12 2.27 2fp3A1 VAL 378 HG13 -0.02 0.00 -0.09 -0.04 0.97 0.82 2fp3A1 VAL 378 HG23 -0.18 -0.00 0.01 -0.04 0.95 0.74 2fp3A1 THR 379 H 0.03 0.80 0.24 -0.55 8.28 8.79 2fp3A1 THR 379 HA -0.07 0.12 0.61 -0.75 4.39 4.30 2fp3A1 THR 379 HB -0.04 -0.05 -0.48 -0.04 4.32 3.71 2fp3A1 THR 379 HG23 -0.41 0.03 -0.12 -0.04 1.22 0.68 2fp3A1 HIS 380 H -0.23 0.21 0.05 -0.55 8.41 7.90 2fp3A1 HIS 380 HA -0.29 0.08 0.28 -0.75 4.63 3.94 2fp3A1 HIS 380 HB2 -0.83 0.02 -0.17 -0.04 3.26 2.25 2fp3A1 HIS 380 HB3 -0.23 0.11 -0.18 -0.04 3.20 2.87 2fp3A1 HIS 380 HD2 -0.55 0.02 -0.02 -0.04 6.97 6.38 2fp3A1 HIS 380 HE1 0.03 0.02 0.01 -0.04 7.75 7.76 2fp3A1 ARG 381 H -0.08 0.03 -0.45 -0.55 8.46 7.41 2fp3A1 ARG 381 HA -0.04 -0.01 0.25 -0.75 4.34 3.79 2fp3A1 ARG 381 HB2 -0.05 -0.01 0.06 -0.04 1.90 1.86 2fp3A1 ARG 381 HB3 -0.12 -0.08 -0.25 -0.04 1.80 1.31 2fp3A1 ARG 381 HG2 -0.06 0.31 0.07 -0.04 1.67 1.96 2fp3A1 ARG 381 HG3 0.01 0.01 -0.33 -0.04 1.67 1.31 2fp3A1 ARG 381 HD2 -0.03 -0.04 -0.04 -0.04 3.22 3.07 2fp3A1 ARG 381 HD3 -0.08 -0.03 -0.06 -0.04 3.22 3.00 2fp3A1 ASP 382 H 0.12 0.41 -0.96 -0.55 8.40 7.43 2fp3A1 ASP 382 HA 0.03 0.10 0.63 -0.75 4.63 4.64 2fp3A1 ASP 382 HB2 0.05 -0.05 0.18 -0.04 2.71 2.86 2fp3A1 ASP 382 HB3 0.05 0.03 -0.11 -0.04 2.70 2.63 2fp3A1 LEU 383 H 0.04 0.31 0.13 -0.55 8.37 8.31 2fp3A1 LEU 383 HA 0.08 0.12 0.56 -0.75 4.35 4.36 2fp3A1 LEU 383 HB2 0.02 0.04 -0.21 -0.04 1.64 1.45 2fp3A1 LEU 383 HB3 0.14 -0.09 0.06 -0.04 1.64 1.71 2fp3A1 LEU 383 HG -0.02 0.15 -0.29 -0.04 1.64 1.44 2fp3A1 LEU 383 HD13 -0.01 -0.02 -0.11 -0.04 0.93 0.75 2fp3A1 LEU 383 HD23 0.09 -0.01 0.13 -0.04 0.89 1.05 2fp3A1 ASP 384 H 0.20 0.09 0.18 -0.55 8.40 8.32 2fp3A1 ASP 384 HA 0.18 0.79 1.05 -0.75 4.63 5.90 2fp3A1 ASP 384 HB2 0.20 0.06 0.04 -0.04 2.71 2.97 2fp3A1 ASP 384 HB3 0.51 -0.23 0.08 -0.04 2.70 3.03 2fp3A1 THR 385 H 0.22 0.28 0.10 -0.55 8.28 8.33 2fp3A1 THR 385 HA 0.20 0.08 0.33 -0.75 4.39 4.25 2fp3A1 THR 385 HB 0.10 0.07 -0.01 -0.04 4.32 4.43 2fp3A1 THR 385 HG23 0.10 -0.02 -0.19 -0.04 1.22 1.07 2fp3A1 GLY 386 H 0.08 0.13 -0.01 -0.55 8.43 8.09 2fp3A1 GLY 386 HA2 -0.36 0.16 0.57 -0.51 4.01 3.86 2fp3A1 GLY 386 HA3 -1.71 0.12 0.26 -0.51 4.01 2.18 2fp3A1 SER 387 H 0.32 0.09 -0.29 -0.55 8.46 8.03 2fp3A1 SER 387 HA 0.23 0.05 0.38 -0.75 4.49 4.40 2fp3A1 SER 387 HB2 0.29 0.05 0.11 -0.04 3.95 4.36 2fp3A1 SER 387 HB3 0.23 0.06 0.01 -0.04 3.93 4.19 2fp3A1 TRP 388 H 0.37 0.40 -0.29 -0.55 7.97 7.90 2fp3A1 TRP 388 HA 0.03 0.03 0.43 -0.75 4.62 4.35 2fp3A1 TRP 388 HB2 0.07 0.02 -0.00 -0.04 3.23 3.28 2fp3A1 TRP 388 HB3 0.07 0.16 0.04 -0.04 3.23 3.46 2fp3A1 TRP 388 HD1 0.06 0.11 -0.08 -0.04 7.22 7.27 2fp3A1 TRP 388 HE1 0.06 0.12 -0.08 -0.04 10.20 10.25 2fp3A1 TRP 388 HE3 -0.04 -0.03 -0.09 -0.04 7.59 7.40 2fp3A1 TRP 388 HZ2 0.08 0.05 -0.04 -0.04 7.44 7.49 2fp3A1 TRP 388 HZ3 -0.18 0.01 -0.05 -0.04 7.13 6.87 2fp3A1 TRP 388 HH2 0.14 0.01 -0.03 -0.04 7.19 7.26 2fp3A1 TYR 389 H 0.25 0.51 -0.15 -0.55 8.29 8.35 2fp3A1 TYR 389 HA -0.04 0.02 0.40 -0.75 4.56 4.19 2fp3A1 TYR 389 HB2 -0.02 0.06 0.13 -0.04 3.06 3.18 2fp3A1 TYR 389 HB3 -0.13 0.14 0.28 -0.04 2.98 3.23 2fp3A1 TYR 389 HD2 -0.09 0.01 -0.10 -0.04 7.15 6.93 2fp3A1 TYR 389 HE2 -0.18 -0.03 -0.09 -0.04 6.85 6.51 2fp3A1 ILE 390 H 0.11 0.76 -0.06 -0.55 8.25 8.50 2fp3A1 ILE 390 HA 0.00 0.01 0.34 -0.75 4.18 3.78 2fp3A1 ILE 390 HB 0.08 0.06 0.15 -0.04 1.89 2.14 2fp3A1 ILE 390 HG12 0.09 -0.02 -0.03 -0.04 1.49 1.48 2fp3A1 ILE 390 HG13 0.08 0.12 0.04 -0.04 1.21 1.40 2fp3A1 ILE 390 HG23 0.08 -0.01 -0.19 -0.04 0.93 0.77 2fp3A1 ILE 390 HD13 0.14 -0.03 -0.12 -0.04 0.88 0.84 2fp3A1 GLN 391 H -0.06 0.59 -0.19 -0.55 8.47 8.26 2fp3A1 GLN 391 HA -0.11 0.01 0.42 -0.75 4.36 3.93 2fp3A1 GLN 391 HB2 -0.38 0.06 0.15 -0.04 2.15 1.94 2fp3A1 GLN 391 HB3 -0.26 -0.03 0.00 -0.04 2.02 1.69 2fp3A1 GLN 391 HG2 0.03 0.38 0.12 -0.04 2.40 2.90 2fp3A1 GLN 391 HG3 0.02 -0.05 -0.02 -0.04 2.39 2.30 2fp3A1 GLN 391 HE21 0.01 0.08 -0.10 -0.04 6.97 6.92 2fp3A1 GLN 391 HE22 0.05 -0.03 -0.07 -0.04 7.69 7.59 2fp3A1 LYS 392 H -0.42 0.65 -0.13 -0.55 8.42 7.96 2fp3A1 LYS 392 HA -0.35 -0.00 0.38 -0.75 4.32 3.59 2fp3A1 LYS 392 HB2 -0.60 0.16 0.14 -0.04 1.87 1.53 2fp3A1 LYS 392 HB3 -0.30 0.06 0.09 -0.04 1.79 1.60 2fp3A1 LYS 392 HG2 -0.18 -0.04 -0.03 -0.04 1.46 1.17 2fp3A1 LYS 392 HG3 -0.18 -0.05 0.01 -0.04 1.46 1.21 2fp3A1 LYS 392 HD2 -0.32 -0.05 0.03 -0.04 1.69 1.32 2fp3A1 LYS 392 HD3 -0.43 0.04 -0.06 -0.04 1.68 1.19 2fp3A1 LYS 392 HE2 -0.06 0.01 -0.06 -0.04 2.99 2.84 2fp3A1 LYS 392 HE3 -0.10 -0.03 -0.01 -0.04 2.99 2.81 2fp3A1 PHE 393 H -0.18 0.56 -0.31 -0.55 8.34 7.86 2fp3A1 PHE 393 HA -0.29 -0.02 0.40 -0.75 4.62 3.96 2fp3A1 PHE 393 HB2 -0.62 0.02 0.04 -0.04 3.15 2.55 2fp3A1 PHE 393 HB3 -0.30 0.16 0.16 -0.04 3.06 3.05 2fp3A1 PHE 393 HD2 -0.18 0.01 -0.09 -0.04 7.28 6.98 2fp3A1 PHE 393 HE2 -0.04 -0.01 -0.13 -0.04 7.38 7.16 2fp3A1 PHE 393 HZ -0.08 0.02 -0.12 -0.04 7.32 7.11 2fp3A1 CYS 394 H -0.14 0.63 -0.07 -0.55 8.50 8.36 2fp3A1 CYS 394 HA -0.54 0.01 0.37 -0.75 4.58 3.67 2fp3A1 CYS 394 HB2 -0.14 0.10 0.12 -0.04 2.97 3.00 2fp3A1 CYS 394 HB3 -0.17 -0.00 -0.02 -0.04 2.97 2.73 2fp3A1 GLN 395 H -0.22 0.54 -0.24 -0.55 8.47 8.00 2fp3A1 GLN 395 HA -0.16 0.03 0.42 -0.75 4.36 3.89 2fp3A1 GLN 395 HB2 -0.18 0.08 0.15 -0.04 2.15 2.16 2fp3A1 GLN 395 HB3 -0.14 -0.05 0.02 -0.04 2.02 1.81 2fp3A1 GLN 395 HG2 -0.15 -0.07 0.01 -0.04 2.40 2.15 2fp3A1 GLN 395 HG3 -0.22 0.54 0.05 -0.04 2.39 2.72 2fp3A1 GLN 395 HE21 -0.13 -0.02 -0.05 -0.04 6.97 6.73 2fp3A1 GLN 395 HE22 -0.12 -0.01 -0.03 -0.04 7.69 7.48 2fp3A1 VAL 396 H -0.20 0.71 -0.04 -0.55 8.24 8.16 2fp3A1 VAL 396 HA -0.01 -0.01 0.36 -0.75 4.13 3.72 2fp3A1 VAL 396 HB -0.15 0.10 0.11 -0.04 2.12 2.15 2fp3A1 VAL 396 HG13 0.03 -0.02 -0.09 -0.04 0.97 0.85 2fp3A1 VAL 396 HG23 -0.06 0.06 -0.02 -0.04 0.95 0.89 2fp3A1 MET 397 H -0.44 0.69 -0.19 -0.55 8.47 7.99 2fp3A1 MET 397 HA -0.30 -0.05 0.45 -0.75 4.52 3.87 2fp3A1 MET 397 HB2 -0.68 0.09 0.16 -0.04 2.15 1.67 2fp3A1 MET 397 HB3 -0.62 0.00 -0.04 -0.04 2.03 1.33 2fp3A1 MET 397 HG2 -1.31 0.08 -0.02 -0.04 2.63 1.33 2fp3A1 MET 397 HG3 -1.67 -0.05 -0.12 -0.04 2.56 0.68 2fp3A1 MET 397 HE3 -0.98 0.01 -0.08 -0.04 2.10 1.01 2fp3A1 ALA 398 H -0.29 0.68 -0.13 -0.55 8.40 8.12 2fp3A1 ALA 398 HA -0.19 -0.00 0.36 -0.75 4.34 3.75 2fp3A1 ALA 398 HB3 -0.15 0.07 0.07 -0.04 1.41 1.36 2fp3A1 ASP 399 H -0.21 0.39 -0.21 -0.55 8.40 7.82 2fp3A1 ASP 399 HA -0.16 0.11 0.78 -0.75 4.63 4.61 2fp3A1 ASP 399 HB2 -0.53 0.02 0.07 -0.04 2.71 2.23 2fp3A1 ASP 399 HB3 -0.48 -0.07 0.08 -0.04 2.70 2.19 2fp3A1 HIS 400 H -0.15 0.49 -0.05 -0.55 8.41 8.15 2fp3A1 HIS 400 HA -0.26 0.23 1.17 -0.75 4.63 5.01 2fp3A1 HIS 400 HB2 -0.12 0.12 0.04 -0.04 3.26 3.26 2fp3A1 HIS 400 HB3 -0.15 -0.14 0.10 -0.04 3.20 2.96 2fp3A1 HIS 400 HD2 -0.03 -0.01 -0.06 -0.04 6.97 6.83 2fp3A1 HIS 400 HE1 -0.04 -0.02 -0.05 -0.04 7.75 7.59 2fp3A1 ALA 401 H -0.10 0.78 0.19 -0.55 8.40 8.72 2fp3A1 ALA 401 HA 0.00 0.06 0.47 -0.75 4.34 4.12 2fp3A1 ALA 401 HB3 -0.11 0.01 0.10 -0.04 1.41 1.36 2fp3A1 HIS 402 H -0.03 0.18 -0.47 -0.55 8.41 7.55 2fp3A1 HIS 402 HA 0.02 0.05 0.32 -0.75 4.63 4.26 2fp3A1 HIS 402 HB2 0.00 0.04 -0.52 -0.04 3.26 2.74 2fp3A1 HIS 402 HB3 -0.03 0.23 -0.49 -0.04 3.20 2.88 2fp3A1 HIS 402 HD2 -0.09 0.05 -0.31 -0.04 6.97 6.58 2fp3A1 HIS 402 HE1 0.00 -0.07 -0.07 -0.04 7.75 7.57 2fp3A1 ASP 403 H -0.59 0.43 -0.40 -0.55 8.40 7.29 2fp3A1 ASP 403 HA -0.61 0.15 0.95 -0.75 4.63 4.36 2fp3A1 ASP 403 HB2 -0.90 -0.01 -0.14 -0.04 2.71 1.63 2fp3A1 ASP 403 HB3 -0.26 0.01 -0.05 -0.04 2.70 2.36 2fp3A1 THR 404 H -0.15 0.70 0.22 -0.55 8.28 8.51 2fp3A1 THR 404 HA 0.10 0.14 1.16 -0.75 4.39 5.03 2fp3A1 THR 404 HB -0.05 -0.04 0.02 -0.04 4.32 4.21 2fp3A1 THR 404 HG23 -0.09 0.08 -0.07 -0.04 1.22 1.10 2fp3A1 ASP 405 H -0.30 0.08 0.13 -0.55 8.40 7.77 2fp3A1 ASP 405 HA -0.59 0.34 0.42 -0.75 4.63 4.04 2fp3A1 ASP 405 HB2 -0.41 -0.20 0.09 -0.04 2.71 2.16 2fp3A1 ASP 405 HB3 -1.10 0.06 0.03 -0.04 2.70 1.65 2fp3A1 LEU 406 H -0.16 0.58 0.34 -0.55 8.37 8.58 2fp3A1 LEU 406 HA 0.08 0.12 0.39 -0.75 4.35 4.18 2fp3A1 LEU 406 HB2 0.02 0.16 0.14 -0.04 1.64 1.92 2fp3A1 LEU 406 HB3 -0.01 -0.07 0.13 -0.04 1.64 1.65 2fp3A1 LEU 406 HG -0.15 -0.07 -0.30 -0.04 1.64 1.07 2fp3A1 LEU 406 HD13 0.29 -0.00 -0.01 -0.04 0.93 1.16 2fp3A1 LEU 406 HD23 -0.01 0.02 -0.09 -0.04 0.89 0.78 2fp3A1 GLU 407 H -0.05 0.12 -0.10 -0.55 8.60 8.02 2fp3A1 GLU 407 HA -0.30 0.08 0.36 -0.75 4.29 3.67 2fp3A1 GLU 407 HB2 0.02 -0.02 0.02 -0.04 2.09 2.07 2fp3A1 GLU 407 HB3 0.07 0.05 -0.04 -0.04 1.99 2.03 2fp3A1 GLU 407 HG2 -0.32 0.00 -0.03 -0.04 2.34 1.95 2fp3A1 GLU 407 HG3 -0.04 -0.01 0.00 -0.04 2.34 2.25 2fp3A1 ASP 408 H -0.06 0.19 -0.38 -0.55 8.40 7.59 2fp3A1 ASP 408 HA -0.01 0.07 0.43 -0.75 4.63 4.37 2fp3A1 ASP 408 HB2 -0.07 0.12 0.06 -0.04 2.71 2.78 2fp3A1 ASP 408 HB3 -0.07 0.04 -0.09 -0.04 2.70 2.55 2fp3A1 ILE 409 H -0.05 0.43 -0.18 -0.55 8.25 7.91 2fp3A1 ILE 409 HA -0.05 0.03 0.34 -0.75 4.18 3.74 2fp3A1 ILE 409 HB 0.04 0.10 0.11 -0.04 1.89 2.10 2fp3A1 ILE 409 HG12 -0.03 -0.02 -0.14 -0.04 1.49 1.26 2fp3A1 ILE 409 HG13 -0.04 0.01 -0.17 -0.04 1.21 0.97 2fp3A1 ILE 409 HG23 0.01 -0.02 -0.23 -0.04 0.93 0.66 2fp3A1 ILE 409 HD13 0.00 -0.00 -0.17 -0.04 0.88 0.66 2fp3A1 LEU 410 H -0.06 0.59 -0.18 -0.55 8.37 8.18 2fp3A1 LEU 410 HA 0.01 0.02 0.37 -0.75 4.35 4.00 2fp3A1 LEU 410 HB2 -0.36 0.09 0.04 -0.04 1.64 1.37 2fp3A1 LEU 410 HB3 -0.15 -0.04 -0.10 -0.04 1.64 1.31 2fp3A1 LEU 410 HG -0.18 0.15 -0.08 -0.04 1.64 1.49 2fp3A1 LEU 410 HD13 -0.73 -0.02 -0.15 -0.04 0.93 -0.02 2fp3A1 LEU 410 HD23 -0.16 -0.01 -0.09 -0.04 0.89 0.59 2fp3A1 LYS 411 H 0.03 0.47 -0.25 -0.55 8.42 8.11 2fp3A1 LYS 411 HA 0.13 0.03 0.42 -0.75 4.32 4.15 2fp3A1 LYS 411 HB2 0.04 0.13 0.16 -0.04 1.87 2.15 2fp3A1 LYS 411 HB3 0.05 -0.04 -0.01 -0.04 1.79 1.76 2fp3A1 LYS 411 HG2 0.14 -0.03 0.01 -0.04 1.46 1.54 2fp3A1 LYS 411 HG3 0.20 0.13 0.06 -0.04 1.46 1.81 2fp3A1 LYS 411 HD2 0.05 -0.01 -0.00 -0.04 1.69 1.68 2fp3A1 LYS 411 HD3 0.06 -0.01 -0.02 -0.04 1.68 1.66 2fp3A1 LYS 411 HE2 0.07 -0.02 -0.06 -0.04 2.99 2.94 2fp3A1 LYS 411 HE3 0.11 -0.01 -0.04 -0.04 2.99 3.01 2fp3A1 LYS 412 H -0.01 0.60 -0.18 -0.55 8.42 8.27 2fp3A1 LYS 412 HA -0.02 0.00 0.38 -0.75 4.32 3.93 2fp3A1 LYS 412 HB2 -0.07 0.14 0.15 -0.04 1.87 2.05 2fp3A1 LYS 412 HB3 -0.05 0.03 -0.04 -0.04 1.79 1.69 2fp3A1 LYS 412 HG2 -0.11 -0.02 0.00 -0.04 1.46 1.30 2fp3A1 LYS 412 HG3 -0.23 0.01 -0.03 -0.04 1.46 1.17 2fp3A1 LYS 412 HD2 -0.04 0.01 -0.03 -0.04 1.69 1.58 2fp3A1 LYS 412 HD3 -0.03 -0.07 0.08 -0.04 1.68 1.62 2fp3A1 LYS 412 HE2 -0.07 -0.00 -0.02 -0.04 2.99 2.86 2fp3A1 LYS 412 HE3 -0.09 0.02 -0.03 -0.04 2.99 2.85 2fp3A1 THR 413 H 0.00 0.67 -0.16 -0.55 8.28 8.24 2fp3A1 THR 413 HA -0.06 0.02 0.37 -0.75 4.39 3.97 2fp3A1 THR 413 HB -0.03 0.08 0.15 -0.04 4.32 4.49 2fp3A1 THR 413 HG23 -0.37 -0.04 -0.13 -0.04 1.22 0.64 2fp3A1 SER 414 H 0.07 0.71 -0.13 -0.55 8.46 8.56 2fp3A1 SER 414 HA 0.14 -0.11 0.42 -0.75 4.49 4.18 2fp3A1 SER 414 HB2 0.17 -0.08 0.00 -0.04 3.95 4.00 2fp3A1 SER 414 HB3 0.11 0.13 0.13 -0.04 3.93 4.26 2fp3A1 GLU 415 H 0.04 0.55 -0.28 -0.55 8.60 8.36 2fp3A1 GLU 415 HA 0.05 -0.00 0.53 -0.75 4.29 4.11 2fp3A1 GLU 415 HB2 0.03 0.04 0.09 -0.04 2.09 2.21 2fp3A1 GLU 415 HB3 0.02 0.09 0.15 -0.04 1.99 2.21 2fp3A1 GLU 415 HG2 0.03 -0.04 -0.06 -0.04 2.34 2.23 2fp3A1 GLU 415 HG3 0.02 -0.04 0.02 -0.04 2.34 2.31 2fp3A1 ALA 416 H 0.02 0.62 -0.09 -0.55 8.40 8.40 2fp3A1 ALA 416 HA 0.04 0.03 0.44 -0.75 4.34 4.10 2fp3A1 ALA 416 HB3 -0.03 0.01 0.14 -0.04 1.41 1.48 2fp3A1 VAL 417 H 0.02 0.71 0.07 -0.55 8.24 8.50 2fp3A1 VAL 417 HA 0.20 0.01 0.23 -0.75 4.13 3.81 2fp3A1 VAL 417 HB 0.02 0.01 0.05 -0.04 2.12 2.16 2fp3A1 VAL 417 HG13 0.17 0.04 -0.04 -0.04 0.97 1.10 2fp3A1 VAL 417 HG23 0.36 -0.02 -0.14 -0.04 0.95 1.11 2fp3A1 GLY 418 H 0.10 0.18 -0.88 -0.55 8.43 7.28 2fp3A1 GLY 418 HA2 0.11 0.03 0.33 -0.51 4.01 3.97 2fp3A1 GLY 418 HA3 0.08 -0.02 0.28 -0.51 4.01 3.84 2fp3A1 ASN 419 H 0.08 0.59 0.03 -0.55 8.53 8.68 2fp3A1 ASN 419 HA 0.06 -0.05 0.48 -0.75 4.76 4.50 2fp3A1 ASN 419 HB2 0.05 -0.02 0.17 -0.04 2.88 3.05 2fp3A1 ASN 419 HB3 0.07 0.07 0.27 -0.04 2.79 3.16 2fp3A1 ASN 419 HD21 0.04 -0.05 0.00 -0.04 7.03 6.98 2fp3A1 ASN 419 HD22 0.04 -0.00 0.04 -0.04 7.74 7.77 2fp3A1 LYS 420 H 0.07 0.30 0.23 -0.55 8.42 8.47 2fp3A1 LYS 420 HA 0.08 0.03 0.37 -0.75 4.32 4.05 2fp3A1 LYS 420 HB2 0.10 -0.20 0.16 -0.04 1.87 1.89 2fp3A1 LYS 420 HB3 0.24 0.27 -0.23 -0.04 1.79 2.03 2fp3A1 LYS 420 HG2 0.17 0.26 -0.43 -0.04 1.46 1.42 2fp3A1 LYS 420 HG3 0.06 0.03 -0.07 -0.04 1.46 1.44 2fp3A1 LYS 420 HD2 0.71 0.01 -0.09 -0.04 1.69 2.28 2fp3A1 LYS 420 HD3 0.18 0.02 -0.05 -0.04 1.68 1.79 2fp3A1 LYS 420 HE2 -0.08 -0.01 0.01 -0.04 2.99 2.86 2fp3A1 LYS 420 HE3 -1.31 -0.08 -0.05 -0.04 2.99 1.52 2fp3A1 ARG 421 H -0.02 0.19 0.12 -0.55 8.46 8.20 2fp3A1 ARG 421 HA -0.01 0.20 0.97 -0.75 4.34 4.75 2fp3A1 ARG 421 HB2 -0.05 -0.06 0.11 -0.04 1.90 1.86 2fp3A1 ARG 421 HB3 -0.04 0.08 -0.02 -0.04 1.80 1.78 2fp3A1 ARG 421 HG2 -0.10 0.02 0.07 -0.04 1.67 1.62 2fp3A1 ARG 421 HG3 -0.15 -0.06 -0.08 -0.04 1.67 1.34 2fp3A1 ARG 421 HD2 -0.12 -0.02 -0.02 -0.04 3.22 3.03 2fp3A1 ARG 421 HD3 -0.08 0.06 -0.02 -0.04 3.22 3.13 2fp3A1 THR 422 H -0.02 0.16 0.16 -0.55 8.28 8.02 2fp3A1 THR 422 HA -0.01 0.01 0.36 -0.75 4.39 4.00 2fp3A1 THR 422 HB -0.03 -0.04 0.10 -0.04 4.32 4.30 2fp3A1 THR 422 HG23 -0.07 -0.04 -0.15 -0.04 1.22 0.92 2fp3A1 LYS 423 H 0.01 -0.31 -0.17 -0.55 8.42 7.39 2fp3A1 LYS 423 HA 0.02 -0.01 0.25 -0.75 4.32 3.83 2fp3A1 LYS 423 HB2 0.05 -0.04 0.13 -0.04 1.87 1.97 2fp3A1 LYS 423 HB3 0.03 0.26 0.16 -0.04 1.79 2.21 2fp3A1 LYS 423 HG2 0.03 0.25 -0.33 -0.04 1.46 1.37 2fp3A1 LYS 423 HG3 0.07 0.04 -0.34 -0.04 1.46 1.19 2fp3A1 LYS 423 HD2 0.20 0.29 -0.07 -0.04 1.69 2.07 2fp3A1 LYS 423 HD3 0.14 -0.08 -0.12 -0.04 1.68 1.57 2fp3A1 LYS 423 HE2 0.06 -0.01 -0.10 -0.04 2.99 2.90 2fp3A1 LYS 423 HE3 -0.03 0.01 -0.11 -0.04 2.99 2.81 2fp3A1 LYS 424 H 0.02 -0.20 -0.06 -0.55 8.42 7.62 2fp3A1 LYS 424 HA 0.03 0.22 0.75 -0.75 4.32 4.56 2fp3A1 LYS 424 HB2 0.04 0.14 -0.01 -0.04 1.87 1.99 2fp3A1 LYS 424 HB3 0.02 -0.04 0.21 -0.04 1.79 1.94 2fp3A1 LYS 424 HG2 0.02 -0.02 0.07 -0.04 1.46 1.48 2fp3A1 LYS 424 HG3 0.03 -0.02 0.03 -0.04 1.46 1.46 2fp3A1 LYS 424 HD2 0.04 -0.03 0.17 -0.04 1.69 1.82 2fp3A1 LYS 424 HD3 0.02 -0.00 0.11 -0.04 1.68 1.78 2fp3A1 LYS 424 HE2 0.03 -0.01 -0.00 -0.04 2.99 2.96 2fp3A1 LYS 424 HE3 0.03 0.00 0.04 -0.04 2.99 3.02 2fp3A1 GLY 425 H 0.01 0.26 -0.28 -0.55 8.43 7.88 2fp3A1 GLY 425 HA2 0.01 0.22 0.88 -0.51 4.01 4.60 2fp3A1 GLY 425 HA3 0.00 0.02 0.26 -0.51 4.01 3.78 2fp3A1 SER 426 H 0.00 0.15 0.07 -0.55 8.46 8.13 2fp3A1 SER 426 HA -0.00 0.12 0.61 -0.75 4.49 4.47 2fp3A1 SER 426 HB2 -0.01 0.03 0.20 -0.04 3.95 4.13 2fp3A1 SER 426 HB3 -0.01 -0.07 0.09 -0.04 3.93 3.91 2fp3A1 MET 427 H 0.01 -0.10 -0.86 -0.55 8.47 6.98 2fp3A1 MET 427 HA 0.02 -0.08 0.25 -0.75 4.52 3.95 2fp3A1 MET 427 HB2 0.01 0.24 0.29 -0.04 2.15 2.65 2fp3A1 MET 427 HB3 0.01 -0.06 0.00 -0.04 2.03 1.95 2fp3A1 MET 427 HG2 0.01 -0.04 -0.56 -0.04 2.63 2.00 2fp3A1 MET 427 HG3 0.01 -0.02 -0.12 -0.04 2.56 2.39 2fp3A1 MET 427 HE3 0.01 -0.01 -0.10 -0.04 2.10 1.96 2fp3A1 GLN 428 H 0.03 0.02 0.04 -0.55 8.47 8.02 2fp3A1 GLN 428 HA 0.05 -0.03 0.37 -0.75 4.36 4.00 2fp3A1 GLN 428 HB2 0.03 0.15 -0.33 -0.04 2.15 1.95 2fp3A1 GLN 428 HB3 0.04 0.02 0.02 -0.04 2.02 2.06 2fp3A1 GLN 428 HG2 0.04 0.05 -0.00 -0.04 2.40 2.45 2fp3A1 GLN 428 HG3 0.03 -0.07 -0.00 -0.04 2.39 2.31 2fp3A1 GLN 428 HE21 0.02 -0.02 -0.04 -0.04 6.97 6.89 2fp3A1 GLN 428 HE22 0.03 -0.01 -0.03 -0.04 7.69 7.64 2fp3A1 THR 429 H 0.07 0.06 0.15 -0.55 8.28 8.02 2fp3A1 THR 429 HA 0.04 0.34 0.97 -0.75 4.39 4.99 2fp3A1 THR 429 HB 0.07 0.01 -0.23 -0.04 4.32 4.14 2fp3A1 THR 429 HG23 0.07 -0.03 -0.25 -0.04 1.22 0.97 2fp3A1 GLY 430 H 0.13 0.06 0.16 -0.55 8.43 8.23 2fp3A1 GLY 430 HA2 0.09 0.02 0.47 -0.51 4.01 4.08 2fp3A1 GLY 430 HA3 0.23 -0.02 0.37 -0.51 4.01 4.07 2fp3A1 ALA 431 H 0.11 0.44 0.35 -0.55 8.40 8.75 2fp3A1 ALA 431 HA 0.10 0.11 0.59 -0.75 4.34 4.39 2fp3A1 ALA 431 HB3 0.08 0.03 -0.05 -0.04 1.41 1.43 2fp3A1 TYR 432 H -0.13 0.32 0.22 -0.55 8.29 8.15 2fp3A1 TYR 432 HA -0.09 0.26 0.78 -0.75 4.56 4.76 2fp3A1 TYR 432 HB2 -0.13 0.02 -0.08 -0.04 3.06 2.82 2fp3A1 TYR 432 HB3 -0.08 0.01 -0.13 -0.04 2.98 2.74 2fp3A1 TYR 432 HD2 -0.04 0.01 -0.38 -0.04 7.15 6.69 2fp3A1 TYR 432 HE2 -0.02 0.01 -0.13 -0.04 6.85 6.67 2fp3A1 ASP 433 H 0.05 0.52 0.36 -0.55 8.40 8.78 2fp3A1 ASP 433 HA -0.00 0.19 1.00 -0.75 4.63 5.06 2fp3A1 ASP 433 HB2 0.09 -0.05 0.09 -0.04 2.71 2.80 2fp3A1 ASP 433 HB3 0.08 0.05 -0.03 -0.04 2.70 2.75 2fp3A1 ASN 434 H 0.04 0.22 0.14 -0.55 8.53 8.38 2fp3A1 ASN 434 HA 0.13 0.20 0.82 -0.75 4.76 5.16 2fp3A1 ASN 434 HB2 0.17 0.02 0.06 -0.04 2.88 3.09 2fp3A1 ASN 434 HB3 0.10 0.00 0.21 -0.04 2.79 3.05 2fp3A1 ASN 434 HD21 0.30 0.34 0.02 -0.04 7.03 7.65 2fp3A1 ASN 434 HD22 0.24 -0.05 -0.02 -0.04 7.74 7.87 2fp3A1 LEU 435 H 0.13 0.79 0.20 -0.55 8.37 8.95 2fp3A1 LEU 435 HA 0.09 0.15 0.82 -0.75 4.35 4.66 2fp3A1 LEU 435 HB2 0.11 0.00 0.07 -0.04 1.64 1.78 2fp3A1 LEU 435 HB3 0.09 0.06 -0.02 -0.04 1.64 1.73 2fp3A1 LEU 435 HG 0.08 0.07 -0.21 -0.04 1.64 1.54 2fp3A1 LEU 435 HD13 0.08 -0.01 -0.09 -0.04 0.93 0.87 2fp3A1 LEU 435 HD23 0.07 0.01 -0.21 -0.04 0.89 0.72 2fp3A1 GLY 436 H 0.11 0.29 -0.05 -0.55 8.43 8.22 2fp3A1 GLY 436 HA2 0.10 0.07 0.29 -0.51 4.01 3.96 2fp3A1 GLY 436 HA3 0.10 0.11 0.48 -0.51 4.01 4.19 2fp3A1 PHE 437 H 0.28 0.08 -0.58 -0.55 8.34 7.57 2fp3A1 PHE 437 HA 0.20 0.07 0.53 -0.75 4.62 4.67 2fp3A1 PHE 437 HB2 0.09 0.15 -0.17 -0.04 3.15 3.19 2fp3A1 PHE 437 HB3 0.11 -0.05 0.08 -0.04 3.06 3.16 2fp3A1 PHE 437 HD2 0.06 0.01 -0.32 -0.04 7.28 6.99 2fp3A1 PHE 437 HE2 -0.05 -0.06 -0.07 -0.04 7.38 7.17 2fp3A1 PHE 437 HZ -0.03 -0.02 -0.08 -0.04 7.32 7.15 2fp3A1 ASN 438 H 0.03 0.38 -0.06 -0.55 8.53 8.34 2fp3A1 ASN 438 HA 0.06 0.22 0.68 -0.75 4.76 4.96 2fp3A1 ASN 438 HB2 -0.03 0.05 0.04 -0.04 2.88 2.91 2fp3A1 ASN 438 HB3 -0.01 0.00 0.13 -0.04 2.79 2.87 2fp3A1 ASN 438 HD21 0.05 -0.05 0.01 -0.04 7.03 7.01 2fp3A1 ASN 438 HD22 0.03 0.06 0.03 -0.04 7.74 7.81 2fp3A1 LYS 439 H -0.38 0.15 -0.23 -0.55 8.42 7.40 2fp3A1 LYS 439 HA -0.21 0.19 0.86 -0.75 4.32 4.41 2fp3A1 LYS 439 HB2 -1.70 0.01 -0.14 -0.04 1.87 -0.00 2fp3A1 LYS 439 HB3 -0.56 0.02 -0.42 -0.04 1.79 0.78 2fp3A1 LYS 439 HG2 -0.29 -0.12 -0.18 -0.04 1.46 0.83 2fp3A1 LYS 439 HG3 -0.42 -0.07 -0.33 -0.04 1.46 0.60 2fp3A1 LYS 439 HD2 -0.92 0.07 -0.16 -0.04 1.69 0.64 2fp3A1 LYS 439 HD3 -0.43 -0.01 -0.36 -0.04 1.68 0.83 2fp3A1 LYS 439 HE2 -0.16 -0.06 -0.05 -0.04 2.99 2.68 2fp3A1 LYS 439 HE3 -0.17 0.00 -0.06 -0.04 2.99 2.72 2fp3A1 LYS 440 H -0.11 0.63 0.28 -0.55 8.42 8.67 2fp3A1 LYS 440 HA -0.00 0.02 0.52 -0.75 4.32 4.10 2fp3A1 LYS 440 HB2 0.09 0.03 0.04 -0.04 1.87 2.00 2fp3A1 LYS 440 HB3 -0.19 -0.09 -0.00 -0.04 1.79 1.47 2fp3A1 LYS 440 HG2 0.01 0.10 -0.00 -0.04 1.46 1.52 2fp3A1 LYS 440 HG3 0.11 -0.03 -0.04 -0.04 1.46 1.45 2fp3A1 LYS 440 HD2 -0.04 -0.06 -0.01 -0.04 1.69 1.54 2fp3A1 LYS 440 HD3 0.00 0.00 -0.07 -0.04 1.68 1.57 2fp3A1 LYS 440 HE2 0.03 0.04 -0.08 -0.04 2.99 2.94 2fp3A1 LYS 440 HE3 0.05 -0.01 -0.03 -0.04 2.99 2.96 2fp3A1 LEU 441 H -0.06 -0.01 0.15 -0.55 8.37 7.90 2fp3A1 LEU 441 HA 0.06 0.33 1.02 -0.75 4.35 5.00 2fp3A1 LEU 441 HB2 0.30 0.09 -0.04 -0.04 1.64 1.95 2fp3A1 LEU 441 HB3 0.10 -0.24 0.21 -0.04 1.64 1.67 2fp3A1 LEU 441 HG -0.75 -0.06 -0.26 -0.04 1.64 0.52 2fp3A1 LEU 441 HD13 -0.12 0.06 -0.07 -0.04 0.93 0.76 2fp3A1 LEU 441 HD23 0.01 -0.00 -0.08 -0.04 0.89 0.77 2fp3A1 TYR 442 H 0.11 0.35 0.04 -0.55 8.29 8.24 2fp3A1 TYR 442 HA -0.06 0.11 0.75 -0.75 4.56 4.61 2fp3A1 TYR 442 HB2 0.06 0.16 0.09 -0.04 3.06 3.33 2fp3A1 TYR 442 HB3 0.06 0.00 -0.01 -0.04 2.98 2.99 2fp3A1 TYR 442 HD2 -0.06 0.15 -0.29 -0.04 7.15 6.90 2fp3A1 TYR 442 HE2 -0.04 0.16 -0.10 -0.04 6.85 6.83 2fp3A1 PHE 443 H 0.23 0.23 0.14 -0.55 8.34 8.38 2fp3A1 PHE 443 HA 0.18 0.18 0.60 -0.75 4.62 4.84 2fp3A1 PHE 443 HB2 0.02 0.03 0.09 -0.04 3.15 3.25 2fp3A1 PHE 443 HB3 0.07 0.07 0.01 -0.04 3.06 3.17 2fp3A1 PHE 443 HD2 0.13 0.08 -0.01 -0.04 7.28 7.44 2fp3A1 PHE 443 HE2 0.17 -0.03 -0.08 -0.04 7.38 7.39 2fp3A1 PHE 443 HZ 0.13 -0.05 -0.10 -0.04 7.32 7.26 2fp3A1 ASN 444 H 0.26 -0.04 -0.09 -0.55 8.53 8.11 2fp3A1 ASN 444 HA 0.24 -0.02 0.34 -0.75 4.76 4.57 2fp3A1 ASN 444 HB2 0.23 0.29 -0.02 -0.04 2.88 3.34 2fp3A1 ASN 444 HB3 0.26 0.01 0.19 -0.04 2.79 3.20 2fp3A1 ASN 444 HD21 0.15 -0.07 0.03 -0.04 7.03 7.10 2fp3A1 ASN 444 HD22 0.18 0.48 0.04 -0.04 7.74 8.39 2fp3A1 PRO 445 HA 0.14 0.14 0.46 -0.51 4.44 4.67 2fp3A1 PRO 445 HB2 0.02 0.16 -0.03 -0.04 2.28 2.39 2fp3A1 PRO 445 HB3 0.01 -0.03 -0.01 -0.04 2.02 1.96 2fp3A1 PRO 445 HG2 0.09 -0.05 0.09 -0.04 2.03 2.13 2fp3A1 PRO 445 HG3 0.03 -0.01 -0.16 -0.04 2.03 1.85 2fp3A1 PRO 445 HD2 0.15 0.01 -0.00 -0.04 3.68 3.80 2fp3A1 PRO 445 HD3 0.18 0.02 -0.22 -0.04 3.65 3.59 2fp3A1 GLY 446 H 0.12 0.20 0.20 -0.55 8.43 8.41 2fp3A1 GLY 446 HA2 0.12 -0.01 0.35 -0.51 4.01 3.96 2fp3A1 GLY 446 HA3 0.11 0.01 0.48 -0.51 4.01 4.10 2fp3A1 PHE 447 H 0.24 0.51 -0.09 -0.55 8.34 8.45 2fp3A1 PHE 447 HA -0.11 0.07 0.77 -0.75 4.62 4.60 2fp3A1 PHE 447 HB2 0.00 0.14 -0.44 -0.04 3.15 2.81 2fp3A1 PHE 447 HB3 0.03 0.02 -0.19 -0.04 3.06 2.88 2fp3A1 PHE 447 HD2 -0.08 0.07 -0.29 -0.04 7.28 6.94 2fp3A1 PHE 447 HE2 -0.12 -0.07 -0.11 -0.04 7.38 7.04 2fp3A1 PHE 447 HZ -0.13 -0.05 -0.05 -0.04 7.32 7.05 2fp3A1 PHE 448 H -1.37 0.18 0.13 -0.55 8.34 6.73 2fp3A1 PHE 448 HA -0.05 0.23 0.83 -0.75 4.62 4.87 2fp3A1 PHE 448 HB2 -0.15 -0.00 -0.06 -0.04 3.15 2.90 2fp3A1 PHE 448 HB3 -0.15 0.16 -0.24 -0.04 3.06 2.79 2fp3A1 PHE 448 HD2 -0.18 0.04 -0.25 -0.04 7.28 6.85 2fp3A1 PHE 448 HE2 -0.13 -0.00 -0.05 -0.04 7.38 7.16 2fp3A1 PHE 448 HZ -0.11 -0.03 -0.02 -0.04 7.32 7.12 2fp3A1 ASN 449 H 0.11 0.56 0.19 -0.55 8.53 8.85 2fp3A1 ASN 449 HA -0.04 0.19 0.64 -0.75 4.76 4.80 2fp3A1 ASN 449 HB2 0.09 0.01 -0.17 -0.04 2.88 2.77 2fp3A1 ASN 449 HB3 0.06 -0.02 0.05 -0.04 2.79 2.83 2fp3A1 ASN 449 HD21 0.05 -0.01 0.01 -0.04 7.03 7.03 2fp3A1 ASN 449 HD22 0.06 -0.01 -0.02 -0.04 7.74 7.73